A0A087Y667_POEFO Loading...

Putative hydroxypyruvate isomerase

Catalyzes the reversible isomerization between hydroxypyruvate and 2-hydroxy-3-oxopropanoate (also termed tartronate semialdehyde).

AlphaFold DB , UniProt , Accession A0A087Y667, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 271 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M68.8Low93.6Very high139 Ų13934.8 Ų34.869%0.68520%0.204SC*.  0149.30-68.7178.4-71.200107E238 K239M1-E238 HydrophobicContact CB-CB 4.38Å; M1-E238 HydrophobicContact CE-CB 4.46Å; M1-E238 HydrophobicContact SD-CB 4.1Å; M1-K239 HydrophobicContact CE-CG 4.35Å; M1-K239 HydrophobicContact SD-CB 4.42Å; M1-K239 HydrophobicContact SD-CG 3.71Å
2A81.6Confident94Very high57 Ų5738.4 Ų38.447%0.47121%0.212SC..PPolyproline II helixtrans-71.1145.1178.300000110.1
3A92.1Very high94.4Very high47 Ų4735.5 Ų35.539%0.38820%0.195SC..PPolyproline II helixtrans-62.8140.517500000110.7Y270A3-Y270 HydrophobicContact CB-CD1 3.62Å; A3-Y270 HydrophobicContact CB-CD2 4.25Å; A3-Y270 HydrophobicContact CB-CE1 4.13Å; A3-Y270 HydrophobicContact CB-CG 3.68Å
4L97.1Very high94.7Very high8 Ų833.4 Ų33.44%0.04218%0.183CC..PPolyproline II helixtrans-69.9148.6172.4-62.9169.2000110.2F6 L234 L237 E238 Y242 I246 Y266L4-F6 HydrophobicContact CB-CE2 3.86Å; L4-F6 HydrophobicContact CB-CZ 4.13Å; L4-F6 HydrophobicContact CD1-CZ 4.46Å; L4-L234 HydrophobicContact CD1-CB 3.85Å; L4-L234 HydrophobicContact CD1-CD2 3.81Å; L4-L234 HydrophobicContact CD1-CG 4.38Å; L4-L237 HydrophobicContact CD1-CB 4.36Å; L4-L237 HydrophobicContact CD2-CB 4.05Å; L4-E238 HydrophobicContact CD1-CG 3.81Å; L4-E238 HydrophobicContact CD2-CG 4.02Å; L4-E238 HydrophobicContact CG-CG 3.65Å; L4-Y242 HydrophobicContact CD2-CD1 4.27Å; L4-I246 HydrophobicContact CB-CD1 4.05Å; L4-I246 HydrophobicContact CD1-CD1 3.72Å; L4-I246 HydrophobicContact CD2-CD1 4.17Å; L4-I246 HydrophobicContact CG-CD1 4.2Å; L4-Y266 HydrophobicContact CB-CE1 4.32Å; L4-Y266 WeakPolarHBondContact CB-OH 3.03Å; L4-Y266 HydrophobicContact CD1-CE2 4.49Å; L4-Y266 WeakPolarHBondContact CG-OH 3.41Å; L4-Y266 PolarHBondContact N-OH 3.2Å
5K97.7Very high94.9Very high90 Ų9036.1 Ų36.139%0.39120%0.202SC..EExtended strand (participates in β ladder)trans-101.4138.1176.3-52.7175.2-160163.80108.7Q243 Y245 I246K5-Q243 WeakPolarHBondContact CE-O 3.28Å; K5-Q243 PolarHBondContact NZ-O 3.11Å; K5-Y245 HydrophobicContact CB-CD1 3.57Å; K5-Y245 HydrophobicContact CB-CE1 3.7Å; K5-Y245 HydrophobicContact CB-CG 4.18Å; K5-Y245 HydrophobicContact CD-CE1 4.33Å; K5-Y245 CarbonylContact O-C 3.56Å; K5-Y245 WeakPolarHBondContact O-CA 3.34Å; K5-I246 PolarHBondContact O-N 2.66Å
6F98.6Very high95Very high7 Ų740.1 Ų40.13%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-120.6146.8179.7-65.5-91.6000110.5L4 F32 I213 L234 I246 W262 I263 Y266L4-F6 HydrophobicContact CB-CE2 3.86Å; L4-F6 HydrophobicContact CB-CZ 4.13Å; L4-F6 HydrophobicContact CD1-CZ 4.46Å; F6-F32 HydrophobicContact CB-CE1 4.3Å; F6-I213 HydrophobicContact CE1-CD1 4.16Å; F6-L234 HydrophobicContact CE1-CD2 4.07Å; F6-L234 HydrophobicContact CZ-CD1 4.23Å; F6-L234 HydrophobicContact CZ-CD2 4.02Å; F6-I246 CarbonylContact C-O 3.54Å; F6-I246 VanDerWaalsContact CA-O 3.31Å; F6-I246 WeakPolarHBondContact CA-O 3.49Å; F6-I246 HydrophobicContact CD1-CB 3.79Å; F6-I246 HydrophobicContact CD1-CG2 4Å; F6-I246 HydrophobicContact CE1-CB 3.98Å; F6-I246 HydrophobicContact CE1-CD1 4.06Å; F6-I246 HydrophobicContact CE1-CG2 3.99Å; F6-I246 HydrophobicContact CZ-CD1 4.28Å; F6-W262 AromaticContact CD1-CH2 3.82Å; F6-W262 HydrophobicContact CD1-CH2 3.82Å; F6-W262 HydrophobicContact CD1-CZ3 4.18Å; F6-W262 AromaticContact CE1-CH2 3.78Å; F6-W262 HydrophobicContact CE1-CH2 3.78Å; F6-W262 AromaticContact CE1-CZ3 3.7Å; F6-W262 HydrophobicContact CE1-CZ3 3.7Å; F6-W262 HydrophobicContact CZ-CZ3 4.19Å; F6-I263 HydrophobicContact CB-CD1 3.5Å; F6-I263 VanDerWaalsContact CB-CD1 3.5Å; F6-I263 HydrophobicContact CD1-CD1 4.06Å; F6-I263 HydrophobicContact CD2-CD1 4.07Å; F6-I263 HydrophobicContact CD2-CG1 4.33Å; F6-I263 HydrophobicContact CG-CD1 3.6Å; F6-I263 HydrophobicContact CG-CG1 4.3Å; F6-Y266 HydrophobicContact CD2-CD1 4.39Å; F6-Y266 HydrophobicContact CD2-CE1 4.45Å; F6-Y266 AromaticContact CE2-CD1 3.54Å; F6-Y266 HydrophobicContact CE2-CD1 3.54Å; F6-Y266 AromaticContact CE2-CE1 3.49Å; F6-Y266 HydrophobicContact CE2-CE1 3.49Å; F6-Y266 VanDerWaalsContact CE2-CE1 3.49Å; F6-Y266 HydrophobicContact CE2-CG 4.16Å; F6-Y266 HydrophobicContact CZ-CD1 4.23Å; F6-Y266 HydrophobicContact CZ-CE1 4.24Å; F6-Y266 HydrophobicContact CZ-CG 4.43Å
7C98.8Very high95.2Very high0 Ų042.1 Ų42.10%023%0.226CC..EExtended strand (participates in β ladder)trans-125.8139170.656.30000110.3A34 E36 V60 Y245 I246 G247 C248C7-A34 CarbonylContact C-O 3.57Å; C7-A34 WeakPolarHBondContact CA-O 3.41Å; C7-A34 HydrophobicContact CB-CB 3.59Å; C7-A34 WeakPolarHBondContact CB-O 3.5Å; C7-E36 PolarHBondContact SG-OE2 3.06Å; C7-E36 VanDerWaalsContact SG-OE2 3.33Å; C7-V60 HydrophobicContact CB-CG2 3.7Å; C7-V60 WeakPolarHBondContact SG-CG2 3.49Å; C7-Y245 HydrophobicContact CB-CD1 4.14Å; C7-Y245 HydrophobicContact CB-CG 4.45Å; C7-I246 PolarHBondContact N-O 3.42Å; C7-G247 VanDerWaalsContact SG-CA 3.52Å; C7-C248 PolarHBondContact O-N 3.04Å
8A98.9Very high95.1Very high0 Ų045.5 Ų45.50%025%0.25CS..EExtended strand (participates in β ladder)trans-74.3128.6174.400000109.7I10 L13 F14 A27 F32 A34 V35 E36A8-I10 HydrophobicContact CB-CG2 4.4Å; A8-I10 PolarHBondContact O-N 3.07Å; A8-L13 HydrophobicContact CB-CD1 4.13Å; A8-F14 HydrophobicContact CB-CE2 3.92Å; A8-A27 HydrophobicContact CB-CB 4.03Å; A8-F32 HydrophobicContact CB-CB 4.45Å; A8-F32 HydrophobicContact CB-CD1 3.87Å; A8-F32 HydrophobicContact CB-CD2 3.83Å; A8-F32 HydrophobicContact CB-CE1 3.96Å; A8-F32 HydrophobicContact CB-CE2 3.93Å; A8-F32 HydrophobicContact CB-CG 3.79Å; A8-F32 HydrophobicContact CB-CZ 3.99Å; A8-A34 PolarHBondContact N-O 3.28Å; A8-V35 HydrophobicContact CB-CG1 4.35Å; A8-V35 CarbonylContact O-C 3.44Å; A8-V35 WeakPolarHBondContact O-CA 3.47Å; A8-E36 PolarHBondContact O-N 2.9Å
9N98.9Very high95.2Very high3 Ų348.1 Ų48.12%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-8098.8168.4-170.7-50.5000109.2S11 W12 L13 E36 C248 E249N9-S11 PolarHBondContact O-N 3.31Å; N9-S11 VanDerWaalsContact OD1-CB 3.3Å; N9-S11 WeakPolarHBondContact OD1-CB 3.39Å; N9-S11 PolarHBondContact OD1-N 3.02Å; N9-W12 PolarHBondContact O-N 3Å; N9-W12 PolarHBondContact OD1-N 3.03Å; N9-L13 WeakPolarHBondContact O-CB 3.45Å; N9-L13 PolarHBondContact O-N 3.28Å; N9-E36 CarbonylContact C-O 3.53Å; N9-E36 WeakPolarHBondContact CA-O 3.1Å; N9-E36 HydrophobicContact CB-CG 3.66Å; N9-E36 WeakPolarHBondContact CB-OE1 3.33Å; N9-E36 PolarHBondContact ND2-OE1 3.41Å; N9-C248 VanDerWaalsContact CB-O 3.28Å; N9-C248 WeakPolarHBondContact CB-O 3.49Å; N9-C248 PolarHBondContact N-O 3.36Å; N9-E249 HydrophobicContact CB-CB 4.04Å; N9-E249 HydrophobicContact CB-CG 4.27Å; N9-E249 VanDerWaalsContact ND2-CG 3.31Å; N9-E249 WeakPolarHBondContact ND2-CG 3.26Å
10I98.7Very high95.3Very high2 Ų247.3 Ų47.31%0.0126%0.257CS..THydrogen-bonded Turntrans-76.61.1-174.958.3171.1000113.3A8 L13 F14 F20 R23 I24 A27 V35 E36 A37A8-I10 HydrophobicContact CB-CG2 4.4Å; A8-I10 PolarHBondContact O-N 3.07Å; I10-L13 WeakPolarHBondContact CA-O 3.45Å; I10-F14 HydrophobicContact CG2-CD2 4.38Å; I10-F20 HydrophobicContact CB-CD1 4.38Å; I10-F20 HydrophobicContact CD1-CB 4.49Å; I10-F20 HydrophobicContact CD1-CD1 3.74Å; I10-F20 HydrophobicContact CG1-CD1 3.79Å; I10-F20 HydrophobicContact CG1-CE1 4.15Å; I10-F20 WeakPolarHBondContact O-CE1 3.47Å; I10-R23 HydrophobicContact CB-CB 3.82Å; I10-R23 HydrophobicContact CD1-CB 4.47Å; I10-R23 HydrophobicContact CG2-CB 3.99Å; I10-R23 WeakPolarHBondContact O-CD 3.45Å; I10-R23 PolarHBondContact O-NH1 2.95Å; I10-I24 HydrophobicContact CD1-CD1 4.41Å; I10-I24 HydrophobicContact CD1-CG1 3.73Å; I10-A27 HydrophobicContact CG2-CB 4.28Å; I10-V35 HydrophobicContact CD1-CB 4.23Å; I10-V35 HydrophobicContact CD1-CG2 4.12Å; I10-V35 HydrophobicContact CG1-CB 4.32Å; I10-V35 HydrophobicContact CG2-CB 4Å; I10-V35 HydrophobicContact CG2-CG1 3.65Å; I10-E36 VanDerWaalsContact CG1-O 3.29Å; I10-E36 WeakPolarHBondContact CG1-O 3.45Å; I10-E36 PolarHBondContact N-O 2.78Å; I10-A37 HydrophobicContact CD1-CB 4.38Å; I10-A37 HydrophobicContact CG1-CB 3.88Å
11S98.3Very high95.5Very high30 Ų3045.5 Ų45.521%0.2125%0.249CC..THydrogen-bonded Turntrans-79.4-24.1164.2-63.40000112.3N9 A38N9-S11 PolarHBondContact O-N 3.31Å; N9-S11 VanDerWaalsContact OD1-CB 3.3Å; N9-S11 WeakPolarHBondContact OD1-CB 3.39Å; N9-S11 PolarHBondContact OD1-N 3.02Å; S11-A38 PolarHBondContact OG-N 3.44Å
12W98.4Very high96.9Very high78 Ų7842.9 Ų42.930%0.29524%0.235SC..THydrogen-bonded Turntrans-113.9-34.8-177.9-70.686.5000113.8N9 T15 E249 Y250 K251N9-W12 PolarHBondContact O-N 3Å; N9-W12 PolarHBondContact OD1-N 3.03Å; W12-T15 WeakPolarHBondContact O-CG2 3.49Å; W12-E249 HydrophobicContact CD2-CG 4.45Å; W12-E249 HydrophobicContact CG-CG 4.02Å; W12-E249 VanDerWaalsContact NE1-CG 3.3Å; W12-E249 PolarHBondContact NE1-OE1 3.17Å; W12-Y250 WeakPolarHBondContact CB-O 3.3Å; W12-K251 HydrophobicContact CE3-CB 3.86Å; W12-K251 HydrophobicContact CZ3-CB 3.95Å
13L98.8Very high97.7Very high0 Ų041.5 Ų41.50%022%0.217CC..SBendtrans-96.3152.4176.8-56.4-174.7000110.4A8 N9 I10 T15 C248 Y250 P252 T256A8-L13 HydrophobicContact CB-CD1 4.13Å; N9-L13 WeakPolarHBondContact O-CB 3.45Å; N9-L13 PolarHBondContact O-N 3.28Å; I10-L13 WeakPolarHBondContact CA-O 3.45Å; L13-T15 PolarHBondContact O-N 3Å; L13-C248 HydrophobicContact CD1-CB 3.77Å; L13-C248 WeakPolarHBondContact CD1-O 3.34Å; L13-Y250 HydrophobicContact CD1-CE1 4.35Å; L13-Y250 HydrophobicContact CD2-CD2 3.9Å; L13-Y250 HydrophobicContact CD2-CE1 4.27Å; L13-Y250 HydrophobicContact CD2-CE2 3.44Å; L13-Y250 VanDerWaalsContact CD2-CE2 3.44Å; L13-Y250 HydrophobicContact CD2-CG 4.43Å; L13-Y250 WeakPolarHBondContact CD2-O 3.5Å; L13-P252 HydrophobicContact CD2-CG 3.67Å; L13-T256 HydrophobicContact CB-CG2 3.81Å; L13-T256 HydrophobicContact CD2-CG2 4.23Å; L13-T256 HydrophobicContact CG-CG2 4.46Å
14F98.6Very high98Very high6 Ų639.3 Ų39.33%0.02620%0.199CC..SBendtrans60.724.7179.7-51.8-77000113.5A8 I10 E16 H17 R23 A26 A27 A30 F32 T256 L260A8-F14 HydrophobicContact CB-CE2 3.92Å; I10-F14 HydrophobicContact CG2-CD2 4.38Å; F14-E16 WeakPolarHBondContact CA-OE2 3.09Å; F14-E16 PolarHBondContact O-N 3.39Å; F14-E16 VanDerWaalsContact O-N 3.09Å; F14-H17 PolarHBondContact O-N 3.35Å; F14-R23 HydrophobicContact CB-CB 4.07Å; F14-R23 HydrophobicContact CB-CG 4.09Å; F14-R23 VanDerWaalsContact O-CG 3.31Å; F14-R23 WeakPolarHBondContact O-CG 3.5Å; F14-A26 HydrophobicContact CB-CB 4.08Å; F14-A26 HydrophobicContact CD1-CB 3.5Å; F14-A26 HydrophobicContact CE1-CB 4.09Å; F14-A26 HydrophobicContact CG-CB 3.84Å; F14-A27 HydrophobicContact CD2-CB 4.11Å; F14-A27 HydrophobicContact CE2-CB 3.74Å; F14-A27 HydrophobicContact CZ-CB 4.35Å; F14-A30 HydrophobicContact CE1-CB 4.04Å; F14-A30 HydrophobicContact CZ-CB 3.7Å; F14-F32 HydrophobicContact CE2-CD2 4.45Å; F14-F32 HydrophobicContact CE2-CE2 4.38Å; F14-F32 HydrophobicContact CZ-CD2 4.43Å; F14-F32 HydrophobicContact CZ-CE2 4.31Å; F14-T256 WeakPolarHBondContact CA-OG1 3.11Å; F14-T256 HydrophobicContact CD1-CG2 3.55Å; F14-T256 HydrophobicContact CD2-CG2 3.95Å; F14-T256 HydrophobicContact CE1-CG2 3.45Å; F14-T256 VanDerWaalsContact CE1-CG2 3.45Å; F14-T256 HydrophobicContact CE2-CG2 3.85Å; F14-T256 HydrophobicContact CG-CG2 3.81Å; F14-T256 HydrophobicContact CZ-CG2 3.6Å; F14-T256 PolarHBondContact N-OG1 3.25Å; F14-L260 HydrophobicContact CZ-CD1 4.2Å
15T97.9Very high98.1Very high75 Ų7543 Ų4346%0.4621%0.213SC..THydrogen-bonded Turntrans-65.2-10.2178.763.40000113.9W12 L13 H17W12-T15 WeakPolarHBondContact O-CG2 3.49Å; L13-T15 PolarHBondContact O-N 3Å; T15-H17 PolarHBondContact O-N 2.95Å
16E97.5Very high98.1Very high100 Ų10039.4 Ų39.447%0.46720%0.2SC..THydrogen-bonded Turntrans-58.2-23.3166.6-58.788.6159.100111.9F14 S255 T256F14-E16 WeakPolarHBondContact CA-OE2 3.09Å; F14-E16 PolarHBondContact O-N 3.39Å; F14-E16 VanDerWaalsContact O-N 3.09Å; E16-S255 WeakPolarHBondContact OE1-CA 3.41Å; E16-T256 PolarHBondContact OE1-N 2.96Å; E16-T256 PolarHBondContact OE1-OG1 2.82Å; E16-T256 PolarHBondContact OE2-OG1 3.32Å
17H97.8Very high98.1Very high74 Ų7439.1 Ų39.134%0.34320%0.199SC..SBendtrans-98.2131.8168.7-59.3-75.3000111F14 T15 Q22 R23F14-H17 PolarHBondContact O-N 3.35Å; T15-H17 PolarHBondContact O-N 2.95Å; H17-Q22 HydrophobicContact CB-CB 3.82Å; H17-R23 HydrophobicContact CB-CG 4.02Å; H17-R23 PolarHBondContact O-NE 3.23Å; H17-R23 PolarHBondContact O-NH2 2.57Å; H17-R23 VanDerWaalsContact O-NH2 3.07Å
18P93.3Very high98.1Very high103 Ų10340.4 Ų40.467%0.66921%0.21SC*.SBendtrans-69.6-41-177.726.4-33000112.3R23P18-R23 PolarHBondContact O-NH2 3.17Å
19D96.5Very high98.1Very high94 Ų9445.6 Ų45.650%0.50325%0.246SC..SBendtrans-94136.2-172.4-56.3-52000112.5S21 Q22 R23D19-S21 PolarHBondContact O-N 2.97Å; D19-Q22 HydrophobicContact CB-CG 4.25Å; D19-Q22 WeakPolarHBondContact O-CB 3.32Å; D19-Q22 PolarHBondContact O-N 3.35Å; D19-R23 WeakPolarHBondContact O-CG 3.11Å; D19-R23 PolarHBondContact O-N 3.05Å; D19-R23 VanDerWaalsContact O-N 3.1Å
20F98.3Very high98Very high32 Ų3246.5 Ų46.514%0.1425%0.254CS..Hα-helixtrans-59.2-31.5177.8-80.5-77.1000113.5I10 Q22 R23 I24 A37 W39 L40 S43 L48I10-F20 HydrophobicContact CB-CD1 4.38Å; I10-F20 HydrophobicContact CD1-CB 4.49Å; I10-F20 HydrophobicContact CD1-CD1 3.74Å; I10-F20 HydrophobicContact CG1-CD1 3.79Å; I10-F20 HydrophobicContact CG1-CE1 4.15Å; I10-F20 WeakPolarHBondContact O-CE1 3.47Å; F20-Q22 VanDerWaalsContact C-N 3.34Å; F20-Q22 PolarHBondContact O-N 3.06Å; F20-R23 PolarHBondContact O-N 3.03Å; F20-I24 WeakPolarHBondContact O-CG1 3.36Å; F20-I24 PolarHBondContact O-N 2.75Å; F20-A37 HydrophobicContact CD1-CB 4.38Å; F20-A37 HydrophobicContact CE1-CB 4.02Å; F20-W39 WeakPolarHBondContact CE2-O 3.21Å; F20-L40 HydrophobicContact CB-CD2 3.85Å; F20-L40 HydrophobicContact CD1-CD2 3.58Å; F20-L40 HydrophobicContact CD2-CD2 3.87Å; F20-L40 HydrophobicContact CE1-CD2 3.99Å; F20-L40 HydrophobicContact CE2-CD2 4.25Å; F20-L40 HydrophobicContact CG-CD2 3.5Å; F20-L40 VanDerWaalsContact CG-CD2 3.5Å; F20-L40 HydrophobicContact CZ-CD2 4.31Å; F20-S43 WeakPolarHBondContact CD2-OG 3.42Å; F20-L48 HydrophobicContact CB-CD2 3.75Å
21S98.1Very high98Very high11 Ų1148.4 Ų48.48%0.07727%0.274CS..Hα-helixtrans-62.3-41.1174.656.30000111.8D19 R23 I24 Y25D19-S21 PolarHBondContact O-N 2.97Å; S21-R23 VanDerWaalsContact C-N 3.35Å; S21-I24 WeakPolarHBondContact O-CB 3.44Å; S21-I24 PolarHBondContact O-N 3.31Å; S21-Y25 WeakPolarHBondContact O-CD2 3.43Å; S21-Y25 PolarHBondContact O-N 2.97Å
22Q98.4Very high98Very high83 Ų8347.2 Ų47.239%0.38827%0.265SS..Hα-helixtrans-67.6-36.3175-63.7-58.2-31.300111.7H17 D19 F20 I24 Y25 A26H17-Q22 HydrophobicContact CB-CB 3.82Å; D19-Q22 HydrophobicContact CB-CG 4.25Å; D19-Q22 WeakPolarHBondContact O-CB 3.32Å; D19-Q22 PolarHBondContact O-N 3.35Å; F20-Q22 VanDerWaalsContact C-N 3.34Å; F20-Q22 PolarHBondContact O-N 3.06Å; Q22-I24 VanDerWaalsContact C-N 3.3Å; Q22-I24 PolarHBondContact O-N 3.43Å; Q22-Y25 PolarHBondContact O-N 3.24Å; Q22-A26 PolarHBondContact O-N 2.93Å
23R98.7Very high98Very high28 Ų2850.6 Ų50.611%0.10628%0.284CS..Hα-helixtrans-64-33.2173.7-57.7-174.1-166.5175.53.4112.9I10 F14 H17 P18 D19 F20 S21 A26 A27I10-R23 HydrophobicContact CB-CB 3.82Å; I10-R23 HydrophobicContact CD1-CB 4.47Å; I10-R23 HydrophobicContact CG2-CB 3.99Å; I10-R23 WeakPolarHBondContact O-CD 3.45Å; I10-R23 PolarHBondContact O-NH1 2.95Å; F14-R23 HydrophobicContact CB-CB 4.07Å; F14-R23 HydrophobicContact CB-CG 4.09Å; F14-R23 VanDerWaalsContact O-CG 3.31Å; F14-R23 WeakPolarHBondContact O-CG 3.5Å; H17-R23 HydrophobicContact CB-CG 4.02Å; H17-R23 PolarHBondContact O-NE 3.23Å; H17-R23 PolarHBondContact O-NH2 2.57Å; H17-R23 VanDerWaalsContact O-NH2 3.07Å; P18-R23 PolarHBondContact O-NH2 3.17Å; D19-R23 WeakPolarHBondContact O-CG 3.11Å; D19-R23 PolarHBondContact O-N 3.05Å; D19-R23 VanDerWaalsContact O-N 3.1Å; F20-R23 PolarHBondContact O-N 3.03Å; S21-R23 VanDerWaalsContact C-N 3.35Å; R23-A26 PolarHBondContact O-N 3.04Å; R23-A27 WeakPolarHBondContact O-CB 3.38Å; R23-A27 PolarHBondContact O-N 3.11Å
24I98.8Very high98Very high2 Ų250.6 Ų50.61%0.0128%0.284CS..Hα-helixtrans-63.2-46.5172.1-68.3167.5000110.6I10 F20 S21 Q22 A26 A27 A28 V35 L48 A51 T55 V57I10-I24 HydrophobicContact CD1-CD1 4.41Å; I10-I24 HydrophobicContact CD1-CG1 3.73Å; F20-I24 WeakPolarHBondContact O-CG1 3.36Å; F20-I24 PolarHBondContact O-N 2.75Å; S21-I24 WeakPolarHBondContact O-CB 3.44Å; S21-I24 PolarHBondContact O-N 3.31Å; Q22-I24 VanDerWaalsContact C-N 3.3Å; Q22-I24 PolarHBondContact O-N 3.43Å; I24-A26 VanDerWaalsContact C-N 3.34Å; I24-A26 PolarHBondContact O-N 2.86Å; I24-A27 PolarHBondContact O-N 2.84Å; I24-A28 WeakPolarHBondContact O-CB 3.3Å; I24-A28 PolarHBondContact O-N 3.04Å; I24-V35 HydrophobicContact CG1-CG2 4.21Å; I24-L48 HydrophobicContact CD1-CD2 4.03Å; I24-A51 HydrophobicContact CB-CB 4.08Å; I24-A51 HydrophobicContact CD1-CB 4.27Å; I24-A51 HydrophobicContact CG2-CB 4.02Å; I24-T55 HydrophobicContact CG2-CG2 4.35Å; I24-V57 HydrophobicContact CG2-CB 4.22Å; I24-V57 HydrophobicContact CG2-CG1 4.37Å
25Y98.7Very high98Very high86 Ų8650.4 Ų50.434%0.33728%0.283SS..Hα-helixtrans-61-42.4175.3-73-69.8000112.4S21 Q22 A28 S29 A51 A54 T55S21-Y25 WeakPolarHBondContact O-CD2 3.43Å; S21-Y25 PolarHBondContact O-N 2.97Å; Q22-Y25 PolarHBondContact O-N 3.24Å; Y25-A28 PolarHBondContact O-N 3.3Å; Y25-S29 WeakPolarHBondContact O-CB 3.32Å; Y25-S29 PolarHBondContact O-N 2.77Å; Y25-S29 PolarHBondContact O-OG 3.48Å; Y25-A51 HydrophobicContact CD2-CB 4.02Å; Y25-A51 HydrophobicContact CE2-CB 3.56Å; Y25-A54 HydrophobicContact CE1-CB 3.72Å; Y25-T55 HydrophobicContact CD1-CG2 3.35Å; Y25-T55 HydrophobicContact CE1-CG2 3.73Å; Y25-T55 HydrophobicContact CG-CG2 4.16Å
26A98.7Very high98Very high14 Ų1446.9 Ų46.912%0.11626%0.262CS..Hα-helixtrans-64.2-45.6177.500000111.9F14 Q22 R23 I24 A28 S29 A30F14-A26 HydrophobicContact CB-CB 4.08Å; F14-A26 HydrophobicContact CD1-CB 3.5Å; F14-A26 HydrophobicContact CE1-CB 4.09Å; F14-A26 HydrophobicContact CG-CB 3.84Å; Q22-A26 PolarHBondContact O-N 2.93Å; R23-A26 PolarHBondContact O-N 3.04Å; I24-A26 VanDerWaalsContact C-N 3.34Å; I24-A26 PolarHBondContact O-N 2.86Å; A26-A28 PolarHBondContact O-N 3.46Å; A26-S29 PolarHBondContact O-N 3.03Å; A26-A30 WeakPolarHBondContact O-CB 3.32Å; A26-A30 PolarHBondContact O-N 2.97Å
27A98.8Very high98.1Very high0 Ų042.2 Ų42.20%024%0.241CC..Hα-helixtrans-59.7-44.1175.600000112.1A8 I10 F14 R23 I24 S29 A30 G31 F32 V35A8-A27 HydrophobicContact CB-CB 4.03Å; I10-A27 HydrophobicContact CG2-CB 4.28Å; F14-A27 HydrophobicContact CD2-CB 4.11Å; F14-A27 HydrophobicContact CE2-CB 3.74Å; F14-A27 HydrophobicContact CZ-CB 4.35Å; R23-A27 WeakPolarHBondContact O-CB 3.38Å; R23-A27 PolarHBondContact O-N 3.11Å; I24-A27 PolarHBondContact O-N 2.84Å; A27-S29 VanDerWaalsContact C-N 3.34Å; A27-S29 PolarHBondContact O-N 3.22Å; A27-A30 PolarHBondContact O-N 3.08Å; A27-G31 PolarHBondContact O-N 3.18Å; A27-F32 HydrophobicContact CB-CB 4.27Å; A27-F32 HydrophobicContact CB-CD2 4.46Å; A27-F32 WeakPolarHBondContact O-CB 3.37Å; A27-F32 PolarHBondContact O-N 3.41Å; A27-V35 HydrophobicContact CB-CG1 3.64Å
28A98.6Very high98Very high28 Ų2839.4 Ų39.423%0.23123%0.23CC..Hα-helixtrans-59.5-44.8175.300000111.9I24 Y25 A26 A30 G31 T55 V57I24-A28 WeakPolarHBondContact O-CB 3.3Å; I24-A28 PolarHBondContact O-N 3.04Å; Y25-A28 PolarHBondContact O-N 3.3Å; A26-A28 PolarHBondContact O-N 3.46Å; A28-A30 PolarHBondContact O-N 3.39Å; A28-G31 PolarHBondContact O-N 2.89Å; A28-T55 HydrophobicContact CB-CG2 3.63Å; A28-V57 HydrophobicContact CB-CG2 3.6Å
29S98.3Very high98.2Very high108 Ų10837.9 Ų37.976%0.75521%0.211SC*.Hα-helixtrans-65.8-30.2-179.8-56.20000112.2Y25 A26 A27 G31Y25-S29 WeakPolarHBondContact O-CB 3.32Å; Y25-S29 PolarHBondContact O-N 2.77Å; Y25-S29 PolarHBondContact O-OG 3.48Å; A26-S29 PolarHBondContact O-N 3.03Å; A27-S29 VanDerWaalsContact C-N 3.34Å; A27-S29 PolarHBondContact O-N 3.22Å; S29-G31 PolarHBondContact O-N 2.88Å
30A98Very high98.2Very high23 Ų2333.6 Ų33.619%0.1919%0.188CC..THydrogen-bonded Turntrans-79.6-0.4173.900000114.1F14 A26 A27 A28 F32 L260F14-A30 HydrophobicContact CE1-CB 4.04Å; F14-A30 HydrophobicContact CZ-CB 3.7Å; A26-A30 WeakPolarHBondContact O-CB 3.32Å; A26-A30 PolarHBondContact O-N 2.97Å; A27-A30 PolarHBondContact O-N 3.08Å; A28-A30 PolarHBondContact O-N 3.39Å; A30-F32 HydrophobicContact CB-CD2 4.23Å; A30-L260 HydrophobicContact CB-CD1 3.66Å
31G97.4Very high98Very high42 Ų4233.8 Ų33.843%0.43319%0.188SC..THydrogen-bonded Turntrans96.20.817600000115.4A27 A28 S29A27-G31 PolarHBondContact O-N 3.18Å; A28-G31 PolarHBondContact O-N 2.89Å; S29-G31 PolarHBondContact O-N 2.88Å
32F98.4Very high97.7Very high5 Ų541.5 Ų41.52%0.02223%0.228CC..  trans-70.7136.2174.6-71.1-87.3000111.1F6 A8 F14 A27 A30 L260 I263 W267F6-F32 HydrophobicContact CB-CE1 4.3Å; A8-F32 HydrophobicContact CB-CB 4.45Å; A8-F32 HydrophobicContact CB-CD1 3.87Å; A8-F32 HydrophobicContact CB-CD2 3.83Å; A8-F32 HydrophobicContact CB-CE1 3.96Å; A8-F32 HydrophobicContact CB-CE2 3.93Å; A8-F32 HydrophobicContact CB-CG 3.79Å; A8-F32 HydrophobicContact CB-CZ 3.99Å; F14-F32 HydrophobicContact CE2-CD2 4.45Å; F14-F32 HydrophobicContact CE2-CE2 4.38Å; F14-F32 HydrophobicContact CZ-CD2 4.43Å; F14-F32 HydrophobicContact CZ-CE2 4.31Å; A27-F32 HydrophobicContact CB-CB 4.27Å; A27-F32 HydrophobicContact CB-CD2 4.46Å; A27-F32 WeakPolarHBondContact O-CB 3.37Å; A27-F32 PolarHBondContact O-N 3.41Å; A30-F32 HydrophobicContact CB-CD2 4.23Å; F32-L260 HydrophobicContact CE2-CD1 4.14Å; F32-L260 HydrophobicContact CE2-CD2 3.79Å; F32-L260 HydrophobicContact CZ-CD2 3.9Å; F32-I263 HydrophobicContact CD1-CD1 4.47Å; F32-I263 HydrophobicContact CE1-CD1 3.54Å; F32-I263 HydrophobicContact CZ-CD1 3.82Å; F32-I263 HydrophobicContact CZ-CG2 4.49Å; F32-W267 HydrophobicContact CD1-CH2 4.17Å; F32-W267 HydrophobicContact CD1-CZ2 4.18Å; F32-W267 HydrophobicContact CD2-CH2 4.28Å; F32-W267 HydrophobicContact CE1-CH2 4.23Å; F32-W267 HydrophobicContact CE1-CZ2 4.27Å; F32-W267 HydrophobicContact CE2-CH2 4.34Å; F32-W267 HydrophobicContact CG-CH2 4.2Å; F32-W267 HydrophobicContact CZ-CH2 4.32Å
33Q98.1Very high97.5Very high149 Ų14938.8 Ų38.870%0.69622%0.218SC*.SBendtrans-95.4-6.8173-63.5-178.2-25.200112.5V57 E58Q33-V57 WeakPolarHBondContact O-CA 3.43Å; Q33-E58 PolarHBondContact O-N 3.08Å
34A98.8Very high97.3Very high0 Ų042 Ų420%024%0.237CC..EExtended strand (participates in β ladder)trans-148.6153.3-176.600000111.7C7 A8 E58 V60 Y245C7-A34 CarbonylContact C-O 3.57Å; C7-A34 WeakPolarHBondContact CA-O 3.41Å; C7-A34 HydrophobicContact CB-CB 3.59Å; C7-A34 WeakPolarHBondContact CB-O 3.5Å; A8-A34 PolarHBondContact N-O 3.28Å; A34-E58 CarbonylContact C-O 3.58Å; A34-E58 WeakPolarHBondContact CA-O 3.06Å; A34-E58 HydrophobicContact CB-CB 4.2Å; A34-V60 HydrophobicContact CB-CG1 3.63Å; A34-V60 HydrophobicContact CB-CG2 4.48Å; A34-Y245 HydrophobicContact CB-CD1 3.64Å; A34-Y245 HydrophobicContact CB-CE1 3.28Å; A34-Y245 HydrophobicContact CB-CE2 4.44Å; A34-Y245 HydrophobicContact CB-CG 4.36Å
35V98.9Very high97.3Very high1 Ų143.1 Ų43.11%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-134.6152.9174.5-63.80000111.4A8 I10 I24 A27 V57 E58 V59 V60A8-V35 HydrophobicContact CB-CG1 4.35Å; A8-V35 CarbonylContact O-C 3.44Å; A8-V35 WeakPolarHBondContact O-CA 3.47Å; I10-V35 HydrophobicContact CD1-CB 4.23Å; I10-V35 HydrophobicContact CD1-CG2 4.12Å; I10-V35 HydrophobicContact CG1-CB 4.32Å; I10-V35 HydrophobicContact CG2-CB 4Å; I10-V35 HydrophobicContact CG2-CG1 3.65Å; I24-V35 HydrophobicContact CG1-CG2 4.21Å; A27-V35 HydrophobicContact CB-CG1 3.64Å; V35-V57 HydrophobicContact CB-CG1 4.21Å; V35-V57 HydrophobicContact CG1-CG1 3.67Å; V35-V57 HydrophobicContact CG2-CG1 3.85Å; V35-E58 PolarHBondContact N-O 3.2Å; V35-V59 HydrophobicContact CG2-CG2 4.02Å; V35-V59 CarbonylContact O-C 3.54Å; V35-V59 WeakPolarHBondContact O-CA 3.48Å; V35-V60 WeakPolarHBondContact O-CG2 3.2Å; V35-V60 PolarHBondContact O-N 2.82Å
36E98.9Very high97.2Very high1 Ų141.2 Ų41.21%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-124.9158.3165.262.7-178.7-142.500109.8C7 A8 N9 I10 V60 L61 H210 Q212 G247C7-E36 PolarHBondContact SG-OE2 3.06Å; C7-E36 VanDerWaalsContact SG-OE2 3.33Å; A8-E36 PolarHBondContact O-N 2.9Å; N9-E36 CarbonylContact C-O 3.53Å; N9-E36 WeakPolarHBondContact CA-O 3.1Å; N9-E36 HydrophobicContact CB-CG 3.66Å; N9-E36 WeakPolarHBondContact CB-OE1 3.33Å; N9-E36 PolarHBondContact ND2-OE1 3.41Å; I10-E36 VanDerWaalsContact CG1-O 3.29Å; I10-E36 WeakPolarHBondContact CG1-O 3.45Å; I10-E36 PolarHBondContact N-O 2.78Å; E36-V60 HydrophobicContact CB-CG2 4.27Å; E36-L61 WeakPolarHBondContact CA-O 3.3Å; E36-L61 HydrophobicContact CB-CB 3.81Å; E36-L61 HydrophobicContact CB-CG 4.49Å; E36-H210 IonicContact OE2-CD2 2.82Å; E36-H210 IonicContact OE2-CE1 3.41Å; E36-H210 PolarHBondContact OE2-CE1 3.41Å; E36-H210 IonicContact OE2-NE2 2.88Å; E36-H210 PolarHBondContact OE2-NE2 2.98Å; E36-Q212 PolarHBondContact OE1-NE2 3.26Å; E36-G247 VanDerWaalsContact OE2-CA 3.29Å; E36-G247 WeakPolarHBondContact OE2-CA 3.3Å
37A98.5Very high97.2Very high3 Ų344.1 Ų44.13%0.02525%0.254CS..EExtended strand (participates in β ladder)trans-148.2149.7176.200000110.1I10 F20 L40 L61 I62I10-A37 HydrophobicContact CD1-CB 4.38Å; I10-A37 HydrophobicContact CG1-CB 3.88Å; F20-A37 HydrophobicContact CD1-CB 4.38Å; F20-A37 HydrophobicContact CE1-CB 4.02Å; A37-L40 HydrophobicContact CB-CD1 4.4Å; A37-L40 HydrophobicContact CB-CD2 3.58Å; A37-L40 HydrophobicContact CB-CG 3.95Å; A37-L61 PolarHBondContact N-O 3.35Å; A37-L61 VanDerWaalsContact N-O 3.1Å; A37-I62 VanDerWaalsContact O-CA 3.27Å; A37-I62 WeakPolarHBondContact O-CA 3.43Å
38A96.9Very high97.2Very high14 Ų1444.1 Ų44.112%0.11625%0.254CS..SBendtrans-65.4-68.8172.400000110.7S11 N63S11-A38 PolarHBondContact OG-N 3.44Å; A38-N63 WeakPolarHBondContact O-CA 3.21Å; A38-N63 WeakPolarHBondContact O-CB 3.48Å; A38-N63 PolarHBondContact O-N 2.88Å
39W96.5Very high97.1Very high72 Ų7245.9 Ų45.927%0.27326%0.258SS..  trans-134.2125.8-175-48.8-57.8000111.3F20 Y41 T64 P66 I69 L74 M108F20-W39 WeakPolarHBondContact CE2-O 3.21Å; W39-Y41 HydrophobicContact CB-CD2 3.89Å; W39-Y41 HydrophobicContact CB-CE2 4.03Å; W39-Y41 AromaticContact CD1-CE2 3.9Å; W39-Y41 HydrophobicContact CG-CD2 4.48Å; W39-Y41 HydrophobicContact CG-CE2 4.32Å; W39-T64 PolarHBondContact NE1-O 3.16Å; W39-T64 VanDerWaalsContact NE1-O 3.08Å; W39-P66 HydrophobicContact CD2-CB 4.45Å; W39-P66 HydrophobicContact CD2-CG 3.89Å; W39-P66 HydrophobicContact CE3-CG 4.24Å; W39-P66 HydrophobicContact CG-CG 4.42Å; W39-P66 HydrophobicContact CH2-CB 4.04Å; W39-P66 HydrophobicContact CH2-CG 4.24Å; W39-P66 HydrophobicContact CZ2-CB 3.53Å; W39-P66 HydrophobicContact CZ2-CG 3.89Å; W39-P66 HydrophobicContact CZ3-CG 4.4Å; W39-I69 HydrophobicContact CZ3-CD1 4.18Å; W39-L74 HydrophobicContact CH2-CD1 3.82Å; W39-L74 HydrophobicContact CZ2-CD1 4Å; W39-M108 HydrophobicContact CZ2-CE 3.93Å; W39-M108 HydrophobicContact CZ2-SD 3.64Å; W39-M108 PolarHBondContact NE1-SD 3.45Å; W39-M108 VanDerWaalsContact NE1-SD 3.44Å
40L95.8Very high97.2Very high4 Ų445.8 Ų45.82%0.02124%0.243CC..  trans-107.94.7-179.4-63.4178.6000112.9F20 A37 D42 S43 L48 I62 Y96 L100F20-L40 HydrophobicContact CB-CD2 3.85Å; F20-L40 HydrophobicContact CD1-CD2 3.58Å; F20-L40 HydrophobicContact CD2-CD2 3.87Å; F20-L40 HydrophobicContact CE1-CD2 3.99Å; F20-L40 HydrophobicContact CE2-CD2 4.25Å; F20-L40 HydrophobicContact CG-CD2 3.5Å; F20-L40 VanDerWaalsContact CG-CD2 3.5Å; F20-L40 HydrophobicContact CZ-CD2 4.31Å; A37-L40 HydrophobicContact CB-CD1 4.4Å; A37-L40 HydrophobicContact CB-CD2 3.58Å; A37-L40 HydrophobicContact CB-CG 3.95Å; L40-D42 VanDerWaalsContact C-N 3.28Å; L40-D42 PolarHBondContact O-N 2.76Å; L40-S43 VanDerWaalsContact O-CB 3.26Å; L40-S43 WeakPolarHBondContact O-CB 3.45Å; L40-S43 PolarHBondContact O-N 3.48Å; L40-L48 HydrophobicContact CB-CD1 4.03Å; L40-L48 HydrophobicContact CD1-CD1 4.14Å; L40-L48 HydrophobicContact CG-CD1 4.47Å; L40-I62 HydrophobicContact CD1-CG2 3.73Å; L40-I62 HydrophobicContact CG-CG2 4.29Å; L40-Y96 HydrophobicContact CB-CD1 3.96Å; L40-Y96 HydrophobicContact CB-CE1 4.11Å; L40-Y96 VanDerWaalsContact O-CE1 3.22Å; L40-Y96 WeakPolarHBondContact O-CE1 3.41Å; L40-L100 HydrophobicContact CD1-CD1 3.64Å
41Y94.3Very high97.2Very high36 Ų3644.7 Ų44.714%0.14123%0.234CC..THydrogen-bonded Turntrans-70.5-21.6-162.9-53.1-57.8000114.7W39 S43 N63 P65 L92 T93 Y96W39-Y41 HydrophobicContact CB-CD2 3.89Å; W39-Y41 HydrophobicContact CB-CE2 4.03Å; W39-Y41 AromaticContact CD1-CE2 3.9Å; W39-Y41 HydrophobicContact CG-CD2 4.48Å; W39-Y41 HydrophobicContact CG-CE2 4.32Å; Y41-S43 VanDerWaalsContact C-N 3.33Å; Y41-N63 PolarHBondContact OH-O 2.84Å; Y41-P65 HydrophobicContact CD2-CB 4.25Å; Y41-P65 HydrophobicContact CD2-CG 3.96Å; Y41-P65 HydrophobicContact CE2-CB 4.05Å; Y41-P65 HydrophobicContact CE2-CG 3.57Å; Y41-L92 HydrophobicContact CD1-CD1 4.45Å; Y41-L92 HydrophobicContact CD1-CD2 3.83Å; Y41-L92 HydrophobicContact CD1-CG 3.78Å; Y41-L92 HydrophobicContact CE1-CD2 4.36Å; Y41-L92 HydrophobicContact CE1-CG 4.03Å; Y41-L92 HydrophobicContact CG-CD2 4.04Å; Y41-L92 HydrophobicContact CG-CG 4.49Å; Y41-T93 WeakPolarHBondContact OH-CB 3.24Å; Y41-T93 VanDerWaalsContact OH-CG2 3.26Å; Y41-T93 WeakPolarHBondContact OH-CG2 3.47Å; Y41-T93 PolarHBondContact OH-OG1 3.4Å; Y41-Y96 AromaticContact CD1-CD2 3.84Å; Y41-Y96 HydrophobicContact CD1-CD2 3.84Å; Y41-Y96 AromaticContact CD1-CE2 3.92Å; Y41-Y96 HydrophobicContact CD1-CE2 3.92Å; Y41-Y96 HydrophobicContact CD1-CG 4.19Å; Y41-Y96 HydrophobicContact CE1-CD2 4.09Å; Y41-Y96 HydrophobicContact CE1-CG 4.23Å; Y41-Y96 PolarHBondContact O-OH 3.36Å
42D92Very high97.2Very high172 Ų17245 Ų4592%0.9222%0.224SC*.THydrogen-bonded Turntrans-87.4-6174-61.4-37.8000112.6L40L40-D42 VanDerWaalsContact C-N 3.28Å; L40-D42 PolarHBondContact O-N 2.76Å
43S94.4Very high97.2Very high26 Ų2651.1 Ų51.118%0.18225%0.253CS..SBendtrans-86.5147.7177.3-57.30000111.8F20 L40 Y41 L45 Y96F20-S43 WeakPolarHBondContact CD2-OG 3.42Å; L40-S43 VanDerWaalsContact O-CB 3.26Å; L40-S43 WeakPolarHBondContact O-CB 3.45Å; L40-S43 PolarHBondContact O-N 3.48Å; Y41-S43 VanDerWaalsContact C-N 3.33Å; S43-L45 PolarHBondContact O-N 3.15Å; S43-Y96 PolarHBondContact O-OH 3.38Å; S43-Y96 VanDerWaalsContact O-OH 3.07Å
44D95.8Very high97.2Very high95 Ų9547.3 Ų47.351%0.50825%0.247SC..  trans-65.1115.2167.7-170.4-36.7000109.8S46 E47 L48D44-S46 PolarHBondContact O-N 3.18Å; D44-S46 WeakPolarHBondContact OD1-CA 3.15Å; D44-S46 VanDerWaalsContact OD1-CB 3.31Å; D44-S46 WeakPolarHBondContact OD1-CB 3.33Å; D44-S46 PolarHBondContact OD1-N 3.22Å; D44-S46 PolarHBondContact OD1-OG 3.27Å; D44-E47 HydrophobicContact CB-CB 4.17Å; D44-E47 HydrophobicContact CB-CG 3.99Å; D44-E47 PolarHBondContact O-N 3.04Å; D44-L48 PolarHBondContact O-N 3.12Å; D44-L48 VanDerWaalsContact O-N 3.13Å
45L96.8Very high97.2Very high26 Ų2649 Ų4914%0.13626%0.257CS..Hα-helixtrans-60.2-33.5-178.9-175.255.8000112.6S43 L48 Q49 K95 Y96 A99 L100S43-L45 PolarHBondContact O-N 3.15Å; L45-L48 PolarHBondContact O-N 3.27Å; L45-Q49 VanDerWaalsContact O-CG 3.31Å; L45-Q49 WeakPolarHBondContact O-CG 3.44Å; L45-Q49 PolarHBondContact O-N 2.85Å; L45-K95 HydrophobicContact CD2-CG 4.46Å; L45-Y96 HydrophobicContact CB-CE1 4.31Å; L45-Y96 HydrophobicContact CD1-CD1 3.68Å; L45-Y96 HydrophobicContact CD1-CE1 3.89Å; L45-Y96 HydrophobicContact CD1-CG 4.17Å; L45-A99 HydrophobicContact CD1-CB 3.78Å; L45-A99 HydrophobicContact CD2-CB 3.68Å; L45-A99 HydrophobicContact CG-CB 3.94Å; L45-L100 HydrophobicContact CD1-CD1 4.4Å; L45-L100 HydrophobicContact CD1-CD2 4.18Å; L45-L100 HydrophobicContact CD1-CG 4.08Å
46S97.7Very high97.1Very high46 Ų4659.5 Ų59.532%0.32230%0.296SS..Hα-helixtrans-68.7-36.7178.574.10000111.9D44 Q49 K50D44-S46 PolarHBondContact O-N 3.18Å; D44-S46 WeakPolarHBondContact OD1-CA 3.15Å; D44-S46 VanDerWaalsContact OD1-CB 3.31Å; D44-S46 WeakPolarHBondContact OD1-CB 3.33Å; D44-S46 PolarHBondContact OD1-N 3.22Å; D44-S46 PolarHBondContact OD1-OG 3.27Å; S46-Q49 PolarHBondContact O-N 3.45Å; S46-K50 VanDerWaalsContact O-CG 3.29Å; S46-K50 WeakPolarHBondContact O-CG 3.31Å; S46-K50 PolarHBondContact O-N 3.1Å
47E98.2Very high97.1Very high75 Ų7559.6 Ų59.635%0.3530%0.297SS..Hα-helixtrans-69.7-37.9175.4-67.3-56127.100111.8D44 Q49 K50 A51D44-E47 HydrophobicContact CB-CB 4.17Å; D44-E47 HydrophobicContact CB-CG 3.99Å; D44-E47 PolarHBondContact O-N 3.04Å; E47-Q49 VanDerWaalsContact C-N 3.35Å; E47-K50 PolarHBondContact O-N 3.44Å; E47-K50 IonicContact OE1-NZ 3.8Å; E47-K50 PolarHBondContact OE1-NZ 3.06Å; E47-A51 WeakPolarHBondContact O-CB 3.48Å; E47-A51 PolarHBondContact O-N 3.31Å
48L98.3Very high97.1Very high1 Ų164.2 Ų64.21%0.00532%0.318CS..Hα-helixtrans-62.4-42.3172.3-65.5174.4000111.7F20 I24 L40 D44 L45 A51 K52 Y96 L100F20-L48 HydrophobicContact CB-CD2 3.75Å; I24-L48 HydrophobicContact CD1-CD2 4.03Å; L40-L48 HydrophobicContact CB-CD1 4.03Å; L40-L48 HydrophobicContact CD1-CD1 4.14Å; L40-L48 HydrophobicContact CG-CD1 4.47Å; D44-L48 PolarHBondContact O-N 3.12Å; D44-L48 VanDerWaalsContact O-N 3.13Å; L45-L48 PolarHBondContact O-N 3.27Å; L48-A51 PolarHBondContact O-N 3.33Å; L48-K52 WeakPolarHBondContact O-CB 3.38Å; L48-K52 PolarHBondContact O-N 3.1Å; L48-Y96 HydrophobicContact CD1-CD1 4.37Å; L48-Y96 HydrophobicContact CD1-CE1 4.13Å; L48-L100 HydrophobicContact CB-CD2 3.73Å; L48-L100 HydrophobicContact CD1-CD1 4.27Å
49Q98.2Very high97.2Very high65 Ų6563.9 Ų63.930%0.30431%0.314SS..Hα-helixtrans-63.9-46.6176.6-74-179.7-64.100111.7L45 S46 E47 A51 K52 E53 A99 L100L45-Q49 VanDerWaalsContact O-CG 3.31Å; L45-Q49 WeakPolarHBondContact O-CG 3.44Å; L45-Q49 PolarHBondContact O-N 2.85Å; S46-Q49 PolarHBondContact O-N 3.45Å; E47-Q49 VanDerWaalsContact C-N 3.35Å; Q49-A51 VanDerWaalsContact C-N 3.34Å; Q49-A51 PolarHBondContact O-N 3.13Å; Q49-K52 WeakPolarHBondContact O-CB 3.4Å; Q49-K52 PolarHBondContact O-N 3.48Å; Q49-E53 WeakPolarHBondContact O-CB 3.26Å; Q49-E53 WeakPolarHBondContact O-CG 3.5Å; Q49-E53 PolarHBondContact O-N 3.41Å; Q49-A99 PolarHBondContact NE2-O 3.04Å; Q49-A99 VanDerWaalsContact NE2-O 3.1Å; Q49-L100 HydrophobicContact CG-CD2 4.05Å
50K98.4Very high97.3Very high105 Ų10560.5 Ų60.546%0.45730%0.302SS..Hα-helixtrans-57.1-47.2175.5-72.5170.6-168.9169.10111.5S46 E47 E53 A54S46-K50 VanDerWaalsContact O-CG 3.29Å; S46-K50 WeakPolarHBondContact O-CG 3.31Å; S46-K50 PolarHBondContact O-N 3.1Å; E47-K50 PolarHBondContact O-N 3.44Å; E47-K50 IonicContact OE1-NZ 3.8Å; E47-K50 PolarHBondContact OE1-NZ 3.06Å; K50-E53 PolarHBondContact O-N 2.94Å; K50-A54 VanDerWaalsContact O-CB 3.29Å; K50-A54 WeakPolarHBondContact O-CB 3.31Å; K50-A54 PolarHBondContact O-N 3.42Å
51A98.4Very high97.4Very high0 Ų060.4 Ų60.40%030%0.301CS..Hα-helixtrans-61.5-45.5178.400000112.1I24 Y25 E47 L48 Q49 E53 T55I24-A51 HydrophobicContact CB-CB 4.08Å; I24-A51 HydrophobicContact CD1-CB 4.27Å; I24-A51 HydrophobicContact CG2-CB 4.02Å; Y25-A51 HydrophobicContact CD2-CB 4.02Å; Y25-A51 HydrophobicContact CE2-CB 3.56Å; E47-A51 WeakPolarHBondContact O-CB 3.48Å; E47-A51 PolarHBondContact O-N 3.31Å; L48-A51 PolarHBondContact O-N 3.33Å; Q49-A51 VanDerWaalsContact C-N 3.34Å; Q49-A51 PolarHBondContact O-N 3.13Å; A51-E53 PolarHBondContact O-N 2.94Å; A51-T55 WeakPolarHBondContact O-CB 3.29Å; A51-T55 VanDerWaalsContact O-CG2 3.3Å; A51-T55 WeakPolarHBondContact O-CG2 3.25Å; A51-T55 PolarHBondContact O-N 3.27Å; A51-T55 PolarHBondContact O-OG1 3.12Å
52K97.8Very high97.7Very high49 Ų4958.8 Ų58.821%0.21330%0.295CS..Hα-helixtrans-58.8-45.1174.5-177-171.9162.6-72.90112.1L48 Q49 R56 V57 V59 L100L48-K52 WeakPolarHBondContact O-CB 3.38Å; L48-K52 PolarHBondContact O-N 3.1Å; Q49-K52 WeakPolarHBondContact O-CB 3.4Å; Q49-K52 PolarHBondContact O-N 3.48Å; K52-R56 WeakPolarHBondContact O-CA 3.18Å; K52-R56 PolarHBondContact O-N 3.3Å; K52-V57 VanDerWaalsContact CG-O 3.3Å; K52-V57 WeakPolarHBondContact CG-O 3.07Å; K52-V59 HydrophobicContact CD-CG2 4.44Å; K52-L100 WeakPolarHBondContact CD-O 3.47Å; K52-L100 WeakPolarHBondContact CE-O 3.42Å
53E97.9Very high98Very high134 Ų13451.2 Ų51.263%0.62625%0.254SS*.Hα-helixtrans-68.5-43.3-178.9-74.5171.8-173.200112.3Q49 K50 A51Q49-E53 WeakPolarHBondContact O-CB 3.26Å; Q49-E53 WeakPolarHBondContact O-CG 3.5Å; Q49-E53 PolarHBondContact O-N 3.41Å; K50-E53 PolarHBondContact O-N 2.94Å; A51-E53 PolarHBondContact O-N 2.94Å
54A98.5Very high98.2Very high69 Ų6950 Ų5057%0.5725%0.246SC*.Hα-helixtrans-65.6-38.6179.600000112.4Y25 K50Y25-A54 HydrophobicContact CE1-CB 3.72Å; K50-A54 VanDerWaalsContact O-CB 3.29Å; K50-A54 WeakPolarHBondContact O-CB 3.31Å; K50-A54 PolarHBondContact O-N 3.42Å
55T98.5Very high98.3Very high34 Ų3446.9 Ų46.921%0.20923%0.231CC..Hα-helixtrans-93-21.7-176.860.30000113.8I24 Y25 A28 A51 V57I24-T55 HydrophobicContact CG2-CG2 4.35Å; Y25-T55 HydrophobicContact CD1-CG2 3.35Å; Y25-T55 HydrophobicContact CE1-CG2 3.73Å; Y25-T55 HydrophobicContact CG-CG2 4.16Å; A28-T55 HydrophobicContact CB-CG2 3.63Å; A51-T55 WeakPolarHBondContact O-CB 3.29Å; A51-T55 VanDerWaalsContact O-CG2 3.3Å; A51-T55 WeakPolarHBondContact O-CG2 3.25Å; A51-T55 PolarHBondContact O-N 3.27Å; A51-T55 PolarHBondContact O-OG1 3.12Å; T55-V57 PolarHBondContact O-N 3.11Å; T55-V57 WeakPolarHBondContact OG1-CB 3.47Å; T55-V57 PolarHBondContact OG1-N 2.91Å
56R98.2Very high98.3Very high222 Ų22246.2 Ų46.284%0.83823%0.228SC*.  trans60.413.6-168.3-52.3-179.5178.7178.2-0.3114.6K52K52-R56 WeakPolarHBondContact O-CA 3.18Å; K52-R56 PolarHBondContact O-N 3.3Å
57V98.4Very high98.3Very high3 Ų345.6 Ų45.62%0.01823%0.229CC..  trans-64.3136.1174.5165.90000109.9I24 A28 Q33 V35 K52 T55I24-V57 HydrophobicContact CG2-CB 4.22Å; I24-V57 HydrophobicContact CG2-CG1 4.37Å; A28-V57 HydrophobicContact CB-CG2 3.6Å; Q33-V57 WeakPolarHBondContact O-CA 3.43Å; V35-V57 HydrophobicContact CB-CG1 4.21Å; V35-V57 HydrophobicContact CG1-CG1 3.67Å; V35-V57 HydrophobicContact CG2-CG1 3.85Å; K52-V57 VanDerWaalsContact CG-O 3.3Å; K52-V57 WeakPolarHBondContact CG-O 3.07Å; T55-V57 PolarHBondContact O-N 3.11Å; T55-V57 WeakPolarHBondContact OG1-CB 3.47Å; T55-V57 PolarHBondContact OG1-N 2.91Å
58E98.6Very high98.1Very high101 Ų10146 Ų4647%0.47223%0.234SC..EExtended strand (participates in β ladder)trans-80.8134.9174.2-65.2-175.2-132.100111.2Q33 A34 V35 V60 Y245Q33-E58 PolarHBondContact O-N 3.08Å; A34-E58 CarbonylContact C-O 3.58Å; A34-E58 WeakPolarHBondContact CA-O 3.06Å; A34-E58 HydrophobicContact CB-CB 4.2Å; V35-E58 PolarHBondContact N-O 3.2Å; E58-V60 HydrophobicContact CB-CG1 3.84Å; E58-Y245 PolarHBondContact OE1-OH 3.26Å
59V98.6Very high97.9Very high6 Ų650.6 Ų50.64%0.03626%0.257CS..EExtended strand (participates in β ladder)trans-89.9110.3165.5-1780000107.1V35 K52 I62 L100 C102V35-V59 HydrophobicContact CG2-CG2 4.02Å; V35-V59 CarbonylContact O-C 3.54Å; V35-V59 WeakPolarHBondContact O-CA 3.48Å; K52-V59 HydrophobicContact CD-CG2 4.44Å; V59-I62 HydrophobicContact CG1-CG2 4.09Å; V59-L100 HydrophobicContact CB-CB 4.22Å; V59-L100 HydrophobicContact CG1-CD1 4.4Å; V59-L100 HydrophobicContact CG2-CB 4.22Å; V59-L100 HydrophobicContact CG2-CD1 4.49Å; V59-C102 HydrophobicContact CB-CB 4.44Å; V59-C102 HydrophobicContact CG1-CB 4.15Å; V59-C102 VanDerWaalsContact O-CA 3.24Å; V59-C102 WeakPolarHBondContact O-CA 3.39Å; V59-C102 WeakPolarHBondContact O-CB 3.27Å; V59-C102 PolarHBondContact O-SG 3.49Å
60V98.4Very high97.6Very high2 Ų257.2 Ų57.21%0.01229%0.285CS..EExtended strand (participates in β ladder)trans-102.4-20.8-165.5-61.30000114.8C7 A34 V35 E36 E58 C102 R104 Y245C7-V60 HydrophobicContact CB-CG2 3.7Å; C7-V60 WeakPolarHBondContact SG-CG2 3.49Å; A34-V60 HydrophobicContact CB-CG1 3.63Å; A34-V60 HydrophobicContact CB-CG2 4.48Å; V35-V60 WeakPolarHBondContact O-CG2 3.2Å; V35-V60 PolarHBondContact O-N 2.82Å; E36-V60 HydrophobicContact CB-CG2 4.27Å; E58-V60 HydrophobicContact CB-CG1 3.84Å; V60-C102 VanDerWaalsContact C-SG 3.56Å; V60-R104 VanDerWaalsContact O-CB 3.3Å; V60-R104 WeakPolarHBondContact O-CB 3.44Å; V60-R104 WeakPolarHBondContact O-CG 3.24Å; V60-R104 PolarHBondContact O-NH1 3.42Å; V60-R104 VanDerWaalsContact O-NH1 3.16Å; V60-Y245 HydrophobicContact CB-CD2 4.14Å; V60-Y245 HydrophobicContact CG1-CD2 3.62Å; V60-Y245 HydrophobicContact CG1-CE2 3.66Å; V60-Y245 HydrophobicContact CG1-CG 4.13Å; V60-Y245 HydrophobicContact CG2-CD2 4.47Å; V60-Y245 HydrophobicContact CG2-CG 4.36Å
61L98.9Very high97.3Very high2 Ų255.7 Ų55.71%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-154.1136.7179.3172.864.2000111.1E36 A37 C102 R104 H106 L148 Q184 H210E36-L61 WeakPolarHBondContact CA-O 3.3Å; E36-L61 HydrophobicContact CB-CB 3.81Å; E36-L61 HydrophobicContact CB-CG 4.49Å; A37-L61 PolarHBondContact N-O 3.35Å; A37-L61 VanDerWaalsContact N-O 3.1Å; L61-C102 PolarHBondContact N-SG 2.92Å; L61-C102 VanDerWaalsContact N-SG 3.45Å; L61-R104 HydrophobicContact CB-CB 4.48Å; L61-R104 HydrophobicContact CD1-CB 3.91Å; L61-H106 HydrophobicContact CD1-CB 4.08Å; L61-L148 HydrophobicContact CD1-CD1 3.7Å; L61-L148 HydrophobicContact CD2-CD1 4.47Å; L61-Q184 VanDerWaalsContact CD2-OE1 3.31Å; L61-H210 VanDerWaalsContact CD2-CD2 3.49Å; L61-H210 WeakPolarHBondContact CD2-CD2 3.15Å
62I98.8Very high97Very high1 Ų156.4 Ų56.41%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-134.8158164.160.9176.1000111.5A37 L40 V59 T93 A97 R104 I105 H106A37-I62 VanDerWaalsContact O-CA 3.27Å; A37-I62 WeakPolarHBondContact O-CA 3.43Å; L40-I62 HydrophobicContact CD1-CG2 3.73Å; L40-I62 HydrophobicContact CG-CG2 4.29Å; V59-I62 HydrophobicContact CG1-CG2 4.09Å; I62-T93 HydrophobicContact CD1-CG2 3.63Å; I62-T93 HydrophobicContact CG1-CG2 3.85Å; I62-A97 HydrophobicContact CD1-CB 4.16Å; I62-R104 PolarHBondContact N-O 3.48Å; I62-I105 HydrophobicContact CG1-CG1 4.28Å; I62-I105 CarbonylContact O-C 3.52Å; I62-I105 VanDerWaalsContact O-CA 3.23Å; I62-I105 WeakPolarHBondContact O-CA 3.29Å; I62-H106 PolarHBondContact O-N 3.23Å
63N98.8Very high97Very high13 Ų1355.2 Ų55.27%0.0730%0.296CS..EExtended strand (participates in β ladder)trans-100.9149.5179-55.70.1000111A38 Y41 H106 M108A38-N63 WeakPolarHBondContact O-CA 3.21Å; A38-N63 WeakPolarHBondContact O-CB 3.48Å; A38-N63 PolarHBondContact O-N 2.88Å; Y41-N63 PolarHBondContact OH-O 2.84Å; N63-H106 CarbonylContact C-O 3.51Å; N63-H106 WeakPolarHBondContact CA-O 3.37Å; N63-H106 HydrophobicContact CB-CB 4.35Å; N63-H106 WeakPolarHBondContact OD1-CB 3.33Å; N63-M108 HydrophobicContact CB-CG 4Å; N63-M108 HydrophobicContact CB-SD 3.92Å
64T98.7Very high96.9Very high2 Ų250.2 Ų50.21%0.01227%0.273CS..PPolyproline II helixtrans-54.7151.3163.952.30000111.2W39 F86 L90 T93 I105 H106 L107 M108W39-T64 PolarHBondContact NE1-O 3.16Å; W39-T64 VanDerWaalsContact NE1-O 3.08Å; T64-F86 HydrophobicContact CG2-CE2 4.41Å; T64-L90 HydrophobicContact CG2-CD1 4.45Å; T64-T93 WeakPolarHBondContact CA-OG1 3.44Å; T64-I105 HydrophobicContact CG2-CG2 3.95Å; T64-H106 PolarHBondContact N-O 3.41Å; T64-H106 PolarHBondContact OG1-O 2.96Å; T64-L107 HydrophobicContact CG2-CD2 3.71Å; T64-M108 PolarHBondContact OG1-N 3.43Å
65P98.3Very high96.9Very high28 Ų2847 Ų4718%0.18225%0.246CC..PPolyproline II helixtrans-51.9145.4177.9-25.933.4000112.2Y41 G67 G89 L92 T93Y41-P65 HydrophobicContact CD2-CB 4.25Å; Y41-P65 HydrophobicContact CD2-CG 3.96Å; Y41-P65 HydrophobicContact CE2-CB 4.05Å; Y41-P65 HydrophobicContact CE2-CG 3.57Å; P65-G67 PolarHBondContact O-N 2.91Å; P65-G89 WeakPolarHBondContact CD-O 3.29Å; P65-L92 HydrophobicContact CG-CD2 4.18Å; P65-T93 WeakPolarHBondContact CD-OG1 3.23Å
66P97.3Very high96.9Very high13 Ų1345.9 Ų45.98%0.08424%0.239CC..  trans-74.2-8.7-177.426.3-28000113.5W39 I69 D73 L74 G75W39-P66 HydrophobicContact CD2-CB 4.45Å; W39-P66 HydrophobicContact CD2-CG 3.89Å; W39-P66 HydrophobicContact CE3-CG 4.24Å; W39-P66 HydrophobicContact CG-CG 4.42Å; W39-P66 HydrophobicContact CH2-CB 4.04Å; W39-P66 HydrophobicContact CH2-CG 4.24Å; W39-P66 HydrophobicContact CZ2-CB 3.53Å; W39-P66 HydrophobicContact CZ2-CG 3.89Å; W39-P66 HydrophobicContact CZ3-CG 4.4Å; P66-I69 HydrophobicContact CB-CD1 4.26Å; P66-I69 HydrophobicContact CB-CG1 3.89Å; P66-I69 HydrophobicContact CG-CD1 3.7Å; P66-I69 HydrophobicContact CG-CG1 3.67Å; P66-D73 CarbonylContact O-C 3.57Å; P66-D73 WeakPolarHBondContact O-CB 3.3Å; P66-L74 PolarHBondContact O-N 3.33Å; P66-G75 PolarHBondContact O-N 2.77Å
67G96.4Very high96.9Very high33 Ų3335.3 Ų35.334%0.3420%0.199SC..  trans81.9-151.3-164.500000110.9P65 I69P65-G67 PolarHBondContact O-N 2.91Å; G67-I69 PolarHBondContact O-N 3.27Å
68D95.3Very high97Very high84 Ų8435.1 Ų35.145%0.44920%0.198SC..  trans-86.698.3175.3-175.5-11.6000110.7K70 A71 G72 D73D68-K70 PolarHBondContact O-N 3.05Å; D68-K70 WeakPolarHBondContact OD1-CA 3.44Å; D68-K70 WeakPolarHBondContact OD1-CB 3.42Å; D68-K70 PolarHBondContact OD1-N 2.84Å; D68-A71 HydrophobicContact CB-CB 3.79Å; D68-A71 CarbonylContact O-C 3.58Å; D68-A71 PolarHBondContact O-N 3.23Å; D68-A71 VanDerWaalsContact O-N 3.16Å; D68-A71 PolarHBondContact OD1-N 2.69Å; D68-G72 PolarHBondContact O-N 3.48Å; D68-G72 VanDerWaalsContact O-N 3.08Å; D68-D73 PolarHBondContact N-OD2 3.41Å; D68-D73 WeakPolarHBondContact O-CB 3.4Å; D68-D73 PolarHBondContact O-N 2.7Å
69I93Very high96.9Very high96 Ų9631.1 Ų31.149%0.49218%0.18SC..THydrogen-bonded Turntrans-58-35.2177.6-60176.7000111.4W39 P66 G67 G72W39-I69 HydrophobicContact CZ3-CD1 4.18Å; P66-I69 HydrophobicContact CB-CD1 4.26Å; P66-I69 HydrophobicContact CB-CG1 3.89Å; P66-I69 HydrophobicContact CG-CD1 3.7Å; P66-I69 HydrophobicContact CG-CG1 3.67Å; G67-I69 PolarHBondContact O-N 3.27Å; I69-G72 WeakPolarHBondContact O-CA 3.37Å; I69-G72 PolarHBondContact O-N 2.84Å
70K92.4Very high96.9Very high204 Ų20432.2 Ų32.289%0.88719%0.188SC*.THydrogen-bonded Turntrans-71.6-34.5-179.4-63.9-178.9179.6176.80111.3D68 G72D68-K70 PolarHBondContact O-N 3.05Å; D68-K70 WeakPolarHBondContact OD1-CA 3.44Å; D68-K70 WeakPolarHBondContact OD1-CB 3.42Å; D68-K70 PolarHBondContact OD1-N 2.84Å; K70-G72 PolarHBondContact O-N 2.81Å
71A92.1Very high96.8Very high73 Ų7335.1 Ų35.160%0.60322%0.218SC*.THydrogen-bonded Turntrans-75-6.8169.800000113D68D68-A71 HydrophobicContact CB-CB 3.79Å; D68-A71 CarbonylContact O-C 3.58Å; D68-A71 PolarHBondContact O-N 3.23Å; D68-A71 VanDerWaalsContact O-N 3.16Å; D68-A71 PolarHBondContact OD1-N 2.69Å
72G93.1Very high96.8Very high16 Ų1637.7 Ų37.717%0.16523%0.228CC..THydrogen-bonded Turntrans93.517.1175.600000114.5D68 I69 K70 R111D68-G72 PolarHBondContact O-N 3.48Å; D68-G72 VanDerWaalsContact O-N 3.08Å; I69-G72 WeakPolarHBondContact O-CA 3.37Å; I69-G72 PolarHBondContact O-N 2.84Å; K70-G72 PolarHBondContact O-N 2.81Å; G72-R111 VanDerWaalsContact C-NH1 3.28Å; G72-R111 WeakPolarHBondContact O-CD 3.37Å; G72-R111 PolarHBondContact O-NH1 3.25Å
73D96.4Very high96.8Very high24 Ų2439.8 Ų39.813%0.12824%0.237CC..  trans-69.3153.9170.3-64.9-27.7000111P66 D68 L76 R82 R111P66-D73 CarbonylContact O-C 3.57Å; P66-D73 WeakPolarHBondContact O-CB 3.3Å; D68-D73 PolarHBondContact N-OD2 3.41Å; D68-D73 WeakPolarHBondContact O-CB 3.4Å; D68-D73 PolarHBondContact O-N 2.7Å; D73-L76 HydrophobicContact CB-CD2 4.26Å; D73-R82 IonicContact OD1-NH1 2.65Å; D73-R82 PolarHBondContact OD1-NH1 2.78Å; D73-R82 IonicContact OD2-CZ 3.87Å; D73-R82 IonicContact OD2-NH1 3.94Å; D73-R82 PolarHBondContact OD2-NH1 2.88Å; D73-R82 IonicContact OD2-NH2 3.75Å; D73-R82 PolarHBondContact OD2-NH2 2.9Å; D73-R111 PolarHBondContact O-NH1 3.41Å
74L97.3Very high96.7Very high29 Ų2944.6 Ų44.615%0.15226%0.262CS..SBendtrans-152.558.4169.9-170.365.5000109.5W39 P66 M108 G110 R111 D158 Y161W39-L74 HydrophobicContact CH2-CD1 3.82Å; W39-L74 HydrophobicContact CZ2-CD1 4Å; P66-L74 PolarHBondContact O-N 3.33Å; L74-M108 HydrophobicContact CD1-CE 3.98Å; L74-M108 HydrophobicContact CG-CE 3.87Å; L74-G110 WeakPolarHBondContact O-CA 3.49Å; L74-R111 HydrophobicContact CB-CG 4.12Å; L74-D158 HydrophobicContact CD2-CB 4.44Å; L74-D158 VanDerWaalsContact CD2-OD2 3.27Å; L74-D158 WeakPolarHBondContact CD2-OD2 3.38Å; L74-Y161 HydrophobicContact CD2-CD2 4.06Å; L74-Y161 HydrophobicContact CD2-CE2 4.17Å; L74-Y161 HydrophobicContact CG-CE2 4.28Å; L74-Y161 WeakPolarHBondContact O-CE2 3.31Å
75G98.2Very high96.7Very high0 Ų048.7 Ų48.70%028%0.281CS..BIsolated β-bridgetrans100.3155.6-166.800000111.6P66 G110P66-G75 PolarHBondContact O-N 2.77Å; G75-G110 WeakPolarHBondContact O-CA 3.38Å
76L98.5Very high96.8Very high11 Ų1147.6 Ų47.66%0.05827%0.274CS..  trans-129.31.7-174.2-61.7177.9000112.8D73 A78 V79 R82 E85 F86 M108D73-L76 HydrophobicContact CB-CD2 4.26Å; L76-A78 VanDerWaalsContact C-N 3.25Å; L76-A78 PolarHBondContact O-N 3.32Å; L76-V79 HydrophobicContact CD2-CB 4.49Å; L76-V79 HydrophobicContact CD2-CG2 4.32Å; L76-V79 PolarHBondContact O-N 3.03Å; L76-R82 HydrophobicContact CB-CB 4.49Å; L76-R82 HydrophobicContact CD2-CB 4.3Å; L76-R82 HydrophobicContact CD2-CG 4.43Å; L76-E85 HydrophobicContact CD1-CB 3.89Å; L76-F86 HydrophobicContact CB-CB 4.19Å; L76-M108 PolarHBondContact N-O 3.19Å
77G98.6Very high96.8Very high0 Ų050.5 Ų50.50%028%0.283CS..THydrogen-bonded Turntrans-59.6-33.1-171.400000114.3F86 M108 A109 F129 N132G77-F86 VanDerWaalsContact CA-CD2 3.46Å; G77-M108 PolarHBondContact N-O 3.33Å; G77-A109 PolarHBondContact N-O 3.48Å; G77-A109 VanDerWaalsContact N-O 3.13Å; G77-F129 WeakPolarHBondContact O-CA 3.43Å; G77-F129 WeakPolarHBondContact O-CD2 3.41Å; G77-N132 WeakPolarHBondContact O-CB 3.44Å; G77-N132 PolarHBondContact O-ND2 3.43Å
78A98.7Very high96.9Very high0 Ų055 Ų550%029%0.293CS..THydrogen-bonded Turntrans-111.97-177.300000112.9L76 P80 A109 M125 F129 F162L76-A78 VanDerWaalsContact C-N 3.25Å; L76-A78 PolarHBondContact O-N 3.32Å; A78-P80 WeakPolarHBondContact O-CD 3.17Å; A78-A109 WeakPolarHBondContact CA-O 3.32Å; A78-A109 HydrophobicContact CB-CB 4.24Å; A78-A109 VanDerWaalsContact CB-O 3.27Å; A78-A109 WeakPolarHBondContact CB-O 3.44Å; A78-A109 PolarHBondContact N-O 2.82Å; A78-M125 HydrophobicContact CB-CB 4.35Å; A78-M125 HydrophobicContact CB-CE 4.11Å; A78-M125 VanDerWaalsContact O-CA 3.26Å; A78-M125 WeakPolarHBondContact O-CA 3.29Å; A78-M125 VanDerWaalsContact O-CB 3.31Å; A78-M125 WeakPolarHBondContact O-CB 3.37Å; A78-M125 WeakPolarHBondContact O-CE 3.39Å; A78-M125 WeakPolarHBondContact O-CG 3.48Å; A78-F129 HydrophobicContact CB-CB 3.63Å; A78-F129 HydrophobicContact CB-CD1 4.43Å; A78-F129 HydrophobicContact CB-CD2 4.13Å; A78-F129 HydrophobicContact CB-CG 3.85Å; A78-F162 HydrophobicContact CB-CD1 3.52Å; A78-F162 HydrophobicContact CB-CE1 3.88Å; A78-F162 HydrophobicContact CB-CG 4.12Å
79V98Very high97.1Very high17 Ų1751.6 Ų51.610%0.10328%0.278CS..  trans-89.9114.1-172.7-175.80000109.7L76 R82L76-V79 HydrophobicContact CD2-CB 4.49Å; L76-V79 HydrophobicContact CD2-CG2 4.32Å; L76-V79 PolarHBondContact O-N 3.03Å; V79-R82 HydrophobicContact CB-CB 4.19Å; V79-R82 HydrophobicContact CB-CG 4.16Å; V79-R82 HydrophobicContact CG1-CB 4.21Å; V79-R82 HydrophobicContact CG1-CG 3.62Å; V79-R82 PolarHBondContact O-N 3.48Å
80P97.3Very high97.3Very high29 Ų2947 Ų4719%0.18826%0.255CS..THydrogen-bonded Turntrans-60.6138.8-176.9-22.734.3000112.6A78 R82 E124 M125 V128A78-P80 WeakPolarHBondContact O-CD 3.17Å; P80-R82 PolarHBondContact O-N 3.07Å; P80-E124 HydrophobicContact CB-CG 4.07Å; P80-E124 VanDerWaalsContact CB-OE1 3.25Å; P80-E124 WeakPolarHBondContact CB-OE1 3.3Å; P80-E124 HydrophobicContact CG-CB 4.4Å; P80-E124 HydrophobicContact CG-CG 3.74Å; P80-M125 HydrophobicContact CG-CG 4.25Å; P80-V128 HydrophobicContact CB-CG2 4.1Å; P80-V128 HydrophobicContact CG-CG2 4.17Å
81G97.2Very high97.6Very high63 Ų6341.4 Ų41.465%0.64923%0.234SC*.THydrogen-bonded Turntrans77.3-2.1-178.900000115E83G81-E83 WeakPolarHBondContact CA-OE2 3.46Å; G81-E83 PolarHBondContact N-OE1 3.33Å; G81-E83 PolarHBondContact N-OE2 3.44Å
82R97.9Very high97.9Very high56 Ų5641.1 Ų41.121%0.21122%0.222CC..  trans-107.615.5178.1-55.4-68.3-64.7-68.2-1.6112.7D73 L76 V79 P80 L84 E85 F86D73-R82 IonicContact OD1-NH1 2.65Å; D73-R82 PolarHBondContact OD1-NH1 2.78Å; D73-R82 IonicContact OD2-CZ 3.87Å; D73-R82 IonicContact OD2-NH1 3.94Å; D73-R82 PolarHBondContact OD2-NH1 2.88Å; D73-R82 IonicContact OD2-NH2 3.75Å; D73-R82 PolarHBondContact OD2-NH2 2.9Å; L76-R82 HydrophobicContact CB-CB 4.49Å; L76-R82 HydrophobicContact CD2-CB 4.3Å; L76-R82 HydrophobicContact CD2-CG 4.43Å; V79-R82 HydrophobicContact CB-CB 4.19Å; V79-R82 HydrophobicContact CB-CG 4.16Å; V79-R82 HydrophobicContact CG1-CB 4.21Å; V79-R82 HydrophobicContact CG1-CG 3.62Å; V79-R82 PolarHBondContact O-N 3.48Å; P80-R82 PolarHBondContact O-N 3.07Å; R82-L84 VanDerWaalsContact C-N 3.34Å; R82-L84 PolarHBondContact O-N 3.37Å; R82-E85 WeakPolarHBondContact CD-OE1 3.47Å; R82-E85 IonicContact CZ-OE1 3.3Å; R82-E85 IonicContact CZ-OE2 3.18Å; R82-E85 IonicContact NE-OE1 3.7Å; R82-E85 PolarHBondContact NE-OE1 3.19Å; R82-E85 IonicContact NE-OE2 3.45Å; R82-E85 PolarHBondContact NE-OE2 2.84Å; R82-E85 IonicContact NH2-OE1 3.38Å; R82-E85 IonicContact NH2-OE2 3.24Å; R82-E85 PolarHBondContact NH2-OE2 3Å; R82-E85 PolarHBondContact O-N 2.95Å; R82-E85 VanDerWaalsContact O-N 3.1Å; R82-F86 PolarHBondContact O-N 2.97Å
83E98.6Very high98.2Very high45 Ų4540.3 Ų40.321%0.2121%0.214CC..Hα-helixtrans-61-41.3-174.7-56.383.7171.100111.8G81 E85 F86 R87 V128G81-E83 WeakPolarHBondContact CA-OE2 3.46Å; G81-E83 PolarHBondContact N-OE1 3.33Å; G81-E83 PolarHBondContact N-OE2 3.44Å; E83-E85 VanDerWaalsContact C-N 3.29Å; E83-E85 PolarHBondContact O-N 3.46Å; E83-F86 PolarHBondContact O-N 3.02Å; E83-R87 VanDerWaalsContact O-CG 3.24Å; E83-R87 WeakPolarHBondContact O-CG 3.32Å; E83-R87 PolarHBondContact O-N 3.2Å; E83-V128 HydrophobicContact CG-CG1 4.01Å
84L98.4Very high98.3Very high114 Ų11439.9 Ų39.960%0.59721%0.211SC*.Hα-helixtrans-64.6-36178-177.861.4000111.8R82 R87 K88R82-L84 VanDerWaalsContact C-N 3.34Å; R82-L84 PolarHBondContact O-N 3.37Å; L84-R87 PolarHBondContact O-N 3.03Å; L84-K88 WeakPolarHBondContact O-CG 3.22Å; L84-K88 PolarHBondContact O-N 3.25Å
85E98.5Very high98.3Very high88 Ų8844.7 Ų44.741%0.41123%0.231SC..Hα-helixtrans-72.2-40.2177.5-69.3-180-116.100111.7L76 R82 E83 R87 K88 G89L76-E85 HydrophobicContact CD1-CB 3.89Å; R82-E85 WeakPolarHBondContact CD-OE1 3.47Å; R82-E85 IonicContact CZ-OE1 3.3Å; R82-E85 IonicContact CZ-OE2 3.18Å; R82-E85 IonicContact NE-OE1 3.7Å; R82-E85 PolarHBondContact NE-OE1 3.19Å; R82-E85 IonicContact NE-OE2 3.45Å; R82-E85 PolarHBondContact NE-OE2 2.84Å; R82-E85 IonicContact NH2-OE1 3.38Å; R82-E85 IonicContact NH2-OE2 3.24Å; R82-E85 PolarHBondContact NH2-OE2 3Å; R82-E85 PolarHBondContact O-N 2.95Å; R82-E85 VanDerWaalsContact O-N 3.1Å; E83-E85 VanDerWaalsContact C-N 3.29Å; E83-E85 PolarHBondContact O-N 3.46Å; E85-R87 VanDerWaalsContact C-N 3.3Å; E85-R87 PolarHBondContact O-N 3.34Å; E85-K88 PolarHBondContact O-N 3.45Å; E85-G89 PolarHBondContact O-N 3.3Å
86F98.8Very high98.3Very high5 Ų545.5 Ų45.52%0.02224%0.235CC..Hα-helixtrans-55.1-46.5169.1169.7-98.6000111.5T64 L76 G77 R82 E83 G89 L90 L107 N132 A136T64-F86 HydrophobicContact CG2-CE2 4.41Å; L76-F86 HydrophobicContact CB-CB 4.19Å; G77-F86 VanDerWaalsContact CA-CD2 3.46Å; R82-F86 PolarHBondContact O-N 2.97Å; E83-F86 PolarHBondContact O-N 3.02Å; F86-G89 PolarHBondContact O-N 3.01Å; F86-L90 PolarHBondContact O-N 3Å; F86-L107 HydrophobicContact CE2-CB 4.5Å; F86-L107 HydrophobicContact CE2-CD2 4.45Å; F86-L107 HydrophobicContact CZ-CD2 4.13Å; F86-N132 HydrophobicContact CD1-CB 3.68Å; F86-N132 VanDerWaalsContact CD1-CG 3.45Å; F86-N132 HydrophobicContact CE1-CB 3.52Å; F86-N132 HydrophobicContact CG-CB 4.43Å; F86-N132 HydrophobicContact CZ-CB 4.15Å; F86-A136 HydrophobicContact CZ-CB 4.43Å
87R98.6Very high98.3Very high73 Ų7345 Ų4528%0.27523%0.232SC..Hα-helixtrans-63.3-43.7179.6-67177.8-172.7-1713.1112.4E83 L84 E85 G89 L90 D91 Y135E83-R87 VanDerWaalsContact O-CG 3.24Å; E83-R87 WeakPolarHBondContact O-CG 3.32Å; E83-R87 PolarHBondContact O-N 3.2Å; L84-R87 PolarHBondContact O-N 3.03Å; E85-R87 VanDerWaalsContact C-N 3.3Å; E85-R87 PolarHBondContact O-N 3.34Å; R87-G89 VanDerWaalsContact C-N 3.3Å; R87-G89 PolarHBondContact O-N 3.02Å; R87-L90 WeakPolarHBondContact O-CB 3.38Å; R87-L90 PolarHBondContact O-N 3.26Å; R87-D91 PolarHBondContact O-N 3Å; R87-Y135 HydrophobicContact CB-CE1 3.95Å; R87-Y135 HydrophobicContact CG-CD1 3.75Å; R87-Y135 HydrophobicContact CG-CE1 3.42Å; R87-Y135 VanDerWaalsContact CG-CE1 3.42Å; R87-Y135 HydrophobicContact CG-CE2 4.48Å; R87-Y135 HydrophobicContact CG-CG 4.41Å
88K98.5Very high98.3Very high129 Ų12950.7 Ų50.756%0.56126%0.257SS*.Hα-helixtrans-61.1-40.4173.3-72.3174.4-179.5177.60111.8L84 E85 D91 L92L84-K88 WeakPolarHBondContact O-CG 3.22Å; L84-K88 PolarHBondContact O-N 3.25Å; E85-K88 PolarHBondContact O-N 3.45Å; K88-D91 PolarHBondContact O-N 3.3Å; K88-L92 PolarHBondContact O-N 3.28Å; K88-L92 VanDerWaalsContact O-N 3.1Å
89G98.5Very high98.3Very high12 Ų1252.1 Ų52.112%0.12427%0.268CS..Hα-helixtrans-61.3-43.9174.700000112P65 E85 F86 R87 L92 T93P65-G89 WeakPolarHBondContact CD-O 3.29Å; E85-G89 PolarHBondContact O-N 3.3Å; F86-G89 PolarHBondContact O-N 3.01Å; R87-G89 VanDerWaalsContact C-N 3.3Å; R87-G89 PolarHBondContact O-N 3.02Å; G89-L92 WeakPolarHBondContact O-CB 3.31Å; G89-L92 PolarHBondContact O-N 3.44Å; G89-T93 PolarHBondContact O-N 3.36Å; G89-T93 PolarHBondContact O-OG1 3.11Å
90L98.7Very high98.3Very high0 Ų051.3 Ų51.30%026%0.264CS..Hα-helixtrans-61.8-41.7175.2-179.762.7000112.3T64 F86 R87 L92 T93 L94 L107 Y135 A136 I139 L140T64-L90 HydrophobicContact CG2-CD1 4.45Å; F86-L90 PolarHBondContact O-N 3Å; R87-L90 WeakPolarHBondContact O-CB 3.38Å; R87-L90 PolarHBondContact O-N 3.26Å; L90-L92 VanDerWaalsContact C-N 3.31Å; L90-L92 PolarHBondContact O-N 3.34Å; L90-T93 PolarHBondContact O-N 2.82Å; L90-L94 HydrophobicContact CG-CD1 4.22Å; L90-L94 WeakPolarHBondContact O-CB 3.48Å; L90-L94 WeakPolarHBondContact O-CG 3.24Å; L90-L94 PolarHBondContact O-N 2.88Å; L90-L107 HydrophobicContact CD1-CD2 3.9Å; L90-Y135 HydrophobicContact CD2-CD1 4.29Å; L90-Y135 HydrophobicContact CD2-CE1 4.24Å; L90-A136 HydrophobicContact CD2-CB 3.72Å; L90-I139 HydrophobicContact CD2-CD1 4.43Å; L90-L140 HydrophobicContact CD1-CD2 4.11Å
91D98.5Very high98.3Very high85 Ų8554.3 Ų54.346%0.45528%0.278SS..Hα-helixtrans-61.1-41175.9-68-26.6000111.5R87 K88 L94 K95R87-D91 PolarHBondContact O-N 3Å; K88-D91 PolarHBondContact O-N 3.3Å; D91-L94 PolarHBondContact O-N 3.23Å; D91-K95 PolarHBondContact O-N 2.81Å; D91-K95 VanDerWaalsContact O-N 3.1Å
92L98.3Very high98.4Very high67 Ų6751.4 Ų51.435%0.35125%0.248SC..Hα-helixtrans-63.9-45.1173.3178.161.6000111.5Y41 P65 K88 G89 L90 L94 K95 Y96Y41-L92 HydrophobicContact CD1-CD1 4.45Å; Y41-L92 HydrophobicContact CD1-CD2 3.83Å; Y41-L92 HydrophobicContact CD1-CG 3.78Å; Y41-L92 HydrophobicContact CE1-CD2 4.36Å; Y41-L92 HydrophobicContact CE1-CG 4.03Å; Y41-L92 HydrophobicContact CG-CD2 4.04Å; Y41-L92 HydrophobicContact CG-CG 4.49Å; P65-L92 HydrophobicContact CG-CD2 4.18Å; K88-L92 PolarHBondContact O-N 3.28Å; K88-L92 VanDerWaalsContact O-N 3.1Å; G89-L92 WeakPolarHBondContact O-CB 3.31Å; G89-L92 PolarHBondContact O-N 3.44Å; L90-L92 VanDerWaalsContact C-N 3.31Å; L90-L92 PolarHBondContact O-N 3.34Å; L92-L94 VanDerWaalsContact C-N 3.3Å; L92-L94 PolarHBondContact O-N 3.3Å; L92-K95 WeakPolarHBondContact O-CB 3.47Å; L92-K95 PolarHBondContact O-N 2.82Å; L92-Y96 HydrophobicContact CD1-CD2 4.14Å; L92-Y96 HydrophobicContact CD1-CE2 3.92Å; L92-Y96 PolarHBondContact O-N 3.28Å
93T98.6Very high98.3Very high0 Ų053 Ų530%026%0.256CS..Hα-helixtrans-59.6-42.2176.1-50.90000111.7Y41 I62 T64 P65 G89 L90 K95 Y96 A97 I105Y41-T93 WeakPolarHBondContact OH-CB 3.24Å; Y41-T93 VanDerWaalsContact OH-CG2 3.26Å; Y41-T93 WeakPolarHBondContact OH-CG2 3.47Å; Y41-T93 PolarHBondContact OH-OG1 3.4Å; I62-T93 HydrophobicContact CD1-CG2 3.63Å; I62-T93 HydrophobicContact CG1-CG2 3.85Å; T64-T93 WeakPolarHBondContact CA-OG1 3.44Å; P65-T93 WeakPolarHBondContact CD-OG1 3.23Å; G89-T93 PolarHBondContact O-N 3.36Å; G89-T93 PolarHBondContact O-OG1 3.11Å; L90-T93 PolarHBondContact O-N 2.82Å; T93-K95 VanDerWaalsContact C-N 3.32Å; T93-K95 PolarHBondContact O-N 3.17Å; T93-Y96 PolarHBondContact O-N 3.25Å; T93-A97 WeakPolarHBondContact O-CB 3.4Å; T93-A97 PolarHBondContact O-N 3.03Å; T93-I105 HydrophobicContact CG2-CB 4.35Å; T93-I105 HydrophobicContact CG2-CD1 3.58Å; T93-I105 HydrophobicContact CG2-CG1 3.74Å; T93-I105 HydrophobicContact CG2-CG2 3.67Å
94L98.4Very high98.4Very high14 Ų1453.1 Ų53.17%0.07326%0.255CS..Hα-helixtrans-61.7-39177.4-81.3167.7000112.4L90 D91 L92 Y96 A97 K98 I105 I139 L140 E143 I145L90-L94 HydrophobicContact CG-CD1 4.22Å; L90-L94 WeakPolarHBondContact O-CB 3.48Å; L90-L94 WeakPolarHBondContact O-CG 3.24Å; L90-L94 PolarHBondContact O-N 2.88Å; D91-L94 PolarHBondContact O-N 3.23Å; L92-L94 VanDerWaalsContact C-N 3.3Å; L92-L94 PolarHBondContact O-N 3.3Å; L94-Y96 VanDerWaalsContact C-N 3.34Å; L94-Y96 PolarHBondContact O-N 3.33Å; L94-A97 PolarHBondContact O-N 3.44Å; L94-K98 WeakPolarHBondContact O-CB 3.23Å; L94-K98 VanDerWaalsContact O-CG 3.23Å; L94-K98 WeakPolarHBondContact O-CG 3.35Å; L94-K98 PolarHBondContact O-N 2.9Å; L94-I105 HydrophobicContact CD2-CD1 4.3Å; L94-I139 HydrophobicContact CD1-CG2 3.31Å; L94-L140 HydrophobicContact CD2-CD2 3.75Å; L94-L140 HydrophobicContact CG-CD2 4.36Å; L94-E143 HydrophobicContact CD2-CG 4.26Å; L94-I145 HydrophobicContact CD2-CD1 3.73Å
95K98.1Very high98.4Very high130 Ų13047.7 Ų47.757%0.56523%0.226SC*.Hα-helixtrans-56.1-49.6172.9179.2-172.1173.7-1720111L45 D91 L92 T93 A99L45-K95 HydrophobicContact CD2-CG 4.46Å; D91-K95 PolarHBondContact O-N 2.81Å; D91-K95 VanDerWaalsContact O-N 3.1Å; L92-K95 WeakPolarHBondContact O-CB 3.47Å; L92-K95 PolarHBondContact O-N 2.82Å; T93-K95 VanDerWaalsContact C-N 3.32Å; T93-K95 PolarHBondContact O-N 3.17Å; K95-A99 WeakPolarHBondContact O-CB 3.25Å; K95-A99 PolarHBondContact O-N 3.32Å
96Y98.5Very high98.4Very high18 Ų1843.5 Ų43.57%0.07121%0.207CC..Hα-helixtrans-67.1-45.6178.5-85-106.9000111.7L40 Y41 S43 L45 L48 L92 T93 L94 K98 A99 L100L40-Y96 HydrophobicContact CB-CD1 3.96Å; L40-Y96 HydrophobicContact CB-CE1 4.11Å; L40-Y96 VanDerWaalsContact O-CE1 3.22Å; L40-Y96 WeakPolarHBondContact O-CE1 3.41Å; Y41-Y96 AromaticContact CD1-CD2 3.84Å; Y41-Y96 HydrophobicContact CD1-CD2 3.84Å; Y41-Y96 AromaticContact CD1-CE2 3.92Å; Y41-Y96 HydrophobicContact CD1-CE2 3.92Å; Y41-Y96 HydrophobicContact CD1-CG 4.19Å; Y41-Y96 HydrophobicContact CE1-CD2 4.09Å; Y41-Y96 HydrophobicContact CE1-CG 4.23Å; Y41-Y96 PolarHBondContact O-OH 3.36Å; S43-Y96 PolarHBondContact O-OH 3.38Å; S43-Y96 VanDerWaalsContact O-OH 3.07Å; L45-Y96 HydrophobicContact CB-CE1 4.31Å; L45-Y96 HydrophobicContact CD1-CD1 3.68Å; L45-Y96 HydrophobicContact CD1-CE1 3.89Å; L45-Y96 HydrophobicContact CD1-CG 4.17Å; L48-Y96 HydrophobicContact CD1-CD1 4.37Å; L48-Y96 HydrophobicContact CD1-CE1 4.13Å; L92-Y96 HydrophobicContact CD1-CD2 4.14Å; L92-Y96 HydrophobicContact CD1-CE2 3.92Å; L92-Y96 PolarHBondContact O-N 3.28Å; T93-Y96 PolarHBondContact O-N 3.25Å; L94-Y96 VanDerWaalsContact C-N 3.34Å; L94-Y96 PolarHBondContact O-N 3.33Å; Y96-K98 VanDerWaalsContact C-N 3.34Å; Y96-K98 PolarHBondContact O-N 3.1Å; Y96-A99 PolarHBondContact O-N 2.93Å; Y96-L100 HydrophobicContact CD1-CD1 4.49Å; Y96-L100 WeakPolarHBondContact O-CB 3.34Å; Y96-L100 WeakPolarHBondContact O-CG 3.25Å; Y96-L100 PolarHBondContact O-N 3.48Å
97A98.4Very high98.4Very high1 Ų143.3 Ų43.31%0.00821%0.206CC..Hα-helixtrans-60.3-42.7-179.200000111.9I62 T93 L94 L100 N101 C102 I105 I145I62-A97 HydrophobicContact CD1-CB 4.16Å; T93-A97 WeakPolarHBondContact O-CB 3.4Å; T93-A97 PolarHBondContact O-N 3.03Å; L94-A97 PolarHBondContact O-N 3.44Å; A97-L100 PolarHBondContact O-N 2.93Å; A97-N101 CarbonylContact O-C 3.52Å; A97-N101 VanDerWaalsContact O-CA 3.29Å; A97-N101 WeakPolarHBondContact O-CA 3.29Å; A97-N101 PolarHBondContact O-N 3.24Å; A97-C102 HydrophobicContact CB-CB 4.16Å; A97-C102 PolarHBondContact O-N 2.8Å; A97-I105 HydrophobicContact CB-CD1 3.98Å; A97-I105 HydrophobicContact CB-CG1 4.38Å; A97-I145 HydrophobicContact CB-CD1 3.98Å
98K97.9Very high98.4Very high118 Ų11840.3 Ų40.351%0.51320%0.195SC..Hα-helixtrans-65.6-47176.8-70.5175.671.5144.80111.8L94 Y96 L100 N101 E143L94-K98 WeakPolarHBondContact O-CB 3.23Å; L94-K98 VanDerWaalsContact O-CG 3.23Å; L94-K98 WeakPolarHBondContact O-CG 3.35Å; L94-K98 PolarHBondContact O-N 2.9Å; Y96-K98 VanDerWaalsContact C-N 3.34Å; Y96-K98 PolarHBondContact O-N 3.1Å; K98-L100 VanDerWaalsContact C-N 3.28Å; K98-L100 PolarHBondContact O-N 2.89Å; K98-N101 PolarHBondContact O-N 3.36Å; K98-E143 WeakPolarHBondContact CD-OE2 3.16Å; K98-E143 VanDerWaalsContact CE-OE2 3.23Å; K98-E143 WeakPolarHBondContact CE-OE2 3.46Å; K98-E143 IonicContact NZ-OE1 3.83Å; K98-E143 PolarHBondContact NZ-OE1 2.93Å; K98-E143 IonicContact NZ-OE2 3.91Å; K98-E143 PolarHBondContact NZ-OE2 2.59Å
99A97.6Very high98.4Very high30 Ų3034.1 Ų34.125%0.24817%0.168CC..Hα-helixtrans-63.1-33.7179.600000113.1L45 Q49 K95 Y96L45-A99 HydrophobicContact CD1-CB 3.78Å; L45-A99 HydrophobicContact CD2-CB 3.68Å; L45-A99 HydrophobicContact CG-CB 3.94Å; Q49-A99 PolarHBondContact NE2-O 3.04Å; Q49-A99 VanDerWaalsContact NE2-O 3.1Å; K95-A99 WeakPolarHBondContact O-CB 3.25Å; K95-A99 PolarHBondContact O-N 3.32Å; Y96-A99 PolarHBondContact O-N 2.93Å
100L98.1Very high98.4Very high1 Ų133.6 Ų33.61%0.00516%0.162CC..Hα-helixtrans-96.61.3179.9-59174.6000113.4L40 L45 L48 Q49 K52 V59 Y96 A97 K98 C102L40-L100 HydrophobicContact CD1-CD1 3.64Å; L45-L100 HydrophobicContact CD1-CD1 4.4Å; L45-L100 HydrophobicContact CD1-CD2 4.18Å; L45-L100 HydrophobicContact CD1-CG 4.08Å; L48-L100 HydrophobicContact CB-CD2 3.73Å; L48-L100 HydrophobicContact CD1-CD1 4.27Å; Q49-L100 HydrophobicContact CG-CD2 4.05Å; K52-L100 WeakPolarHBondContact CD-O 3.47Å; K52-L100 WeakPolarHBondContact CE-O 3.42Å; V59-L100 HydrophobicContact CB-CB 4.22Å; V59-L100 HydrophobicContact CG1-CD1 4.4Å; V59-L100 HydrophobicContact CG2-CB 4.22Å; V59-L100 HydrophobicContact CG2-CD1 4.49Å; Y96-L100 HydrophobicContact CD1-CD1 4.49Å; Y96-L100 WeakPolarHBondContact O-CB 3.34Å; Y96-L100 WeakPolarHBondContact O-CG 3.25Å; Y96-L100 PolarHBondContact O-N 3.48Å; A97-L100 PolarHBondContact O-N 2.93Å; K98-L100 VanDerWaalsContact C-N 3.28Å; K98-L100 PolarHBondContact O-N 2.89Å; L100-C102 PolarHBondContact O-N 2.9Å
101N98.1Very high98.4Very high92 Ų9236 Ų3649%0.49217%0.172SC..THydrogen-bonded Turntrans5134.2-171.1-16845.8000113.8A97 K98 K103A97-N101 CarbonylContact O-C 3.52Å; A97-N101 VanDerWaalsContact O-CA 3.29Å; A97-N101 WeakPolarHBondContact O-CA 3.29Å; A97-N101 PolarHBondContact O-N 3.24Å; K98-N101 PolarHBondContact O-N 3.36Å; N101-K103 WeakPolarHBondContact OD1-CE 3.35Å; N101-K103 PolarHBondContact OD1-NZ 2.85Å
102C98.4Very high98.3Very high1 Ų132.5 Ų32.51%0.00715%0.153CC..  trans-74.5129.6176.6-175.50000110.8V59 V60 L61 A97 L100 R104V59-C102 HydrophobicContact CB-CB 4.44Å; V59-C102 HydrophobicContact CG1-CB 4.15Å; V59-C102 VanDerWaalsContact O-CA 3.24Å; V59-C102 WeakPolarHBondContact O-CA 3.39Å; V59-C102 WeakPolarHBondContact O-CB 3.27Å; V59-C102 PolarHBondContact O-SG 3.49Å; V60-C102 VanDerWaalsContact C-SG 3.56Å; L61-C102 PolarHBondContact N-SG 2.92Å; L61-C102 VanDerWaalsContact N-SG 3.45Å; A97-C102 HydrophobicContact CB-CB 4.16Å; A97-C102 PolarHBondContact O-N 2.8Å; L100-C102 PolarHBondContact O-N 2.9Å; C102-R104 PolarHBondContact SG-O 3.29Å
103K97.8Very high98Very high90 Ų9031.8 Ų31.839%0.39115%0.152SC..  trans-102.9-1.2-173.3-60.5-56.3-177.9-169.50114.5N101 T146N101-K103 WeakPolarHBondContact OD1-CE 3.35Å; N101-K103 PolarHBondContact OD1-NZ 2.85Å; K103-T146 PolarHBondContact O-N 3.37Å
104R98.8Very high97.5Very high47 Ų4736.9 Ų36.918%0.17718%0.183CC..EExtended strand (participates in β ladder)trans-133.7138.2177-53.3177.2-169.476.72.9111.1V60 L61 I62 C102 T146 L148 G209V60-R104 VanDerWaalsContact O-CB 3.3Å; V60-R104 WeakPolarHBondContact O-CB 3.44Å; V60-R104 WeakPolarHBondContact O-CG 3.24Å; V60-R104 PolarHBondContact O-NH1 3.42Å; V60-R104 VanDerWaalsContact O-NH1 3.16Å; L61-R104 HydrophobicContact CB-CB 4.48Å; L61-R104 HydrophobicContact CD1-CB 3.91Å; I62-R104 PolarHBondContact N-O 3.48Å; C102-R104 PolarHBondContact SG-O 3.29Å; R104-T146 CarbonylContact C-O 3.45Å; R104-T146 VanDerWaalsContact CA-O 3.27Å; R104-T146 WeakPolarHBondContact CA-O 3.49Å; R104-L148 HydrophobicContact CB-CD1 3.96Å; R104-L148 HydrophobicContact CB-CG 4.4Å; R104-G209 PolarHBondContact NE-O 3.27Å
105I98.9Very high97Very high0 Ų044 Ų440%022%0.221CC..EExtended strand (participates in β ladder)trans-128121.1174.8-67.5170.5000108.9I62 T64 T93 L94 A97 L107 L140 I145 T146 G147 L148I62-I105 HydrophobicContact CG1-CG1 4.28Å; I62-I105 CarbonylContact O-C 3.52Å; I62-I105 VanDerWaalsContact O-CA 3.23Å; I62-I105 WeakPolarHBondContact O-CA 3.29Å; T64-I105 HydrophobicContact CG2-CG2 3.95Å; T93-I105 HydrophobicContact CG2-CB 4.35Å; T93-I105 HydrophobicContact CG2-CD1 3.58Å; T93-I105 HydrophobicContact CG2-CG1 3.74Å; T93-I105 HydrophobicContact CG2-CG2 3.67Å; L94-I105 HydrophobicContact CD2-CD1 4.3Å; A97-I105 HydrophobicContact CB-CD1 3.98Å; A97-I105 HydrophobicContact CB-CG1 4.38Å; I105-L107 HydrophobicContact CG2-CD2 3.9Å; I105-L107 PolarHBondContact O-N 3.17Å; I105-L140 HydrophobicContact CD1-CD2 3.82Å; I105-I145 HydrophobicContact CB-CG2 4.45Å; I105-I145 HydrophobicContact CD1-CD1 4.4Å; I105-I145 HydrophobicContact CD1-CG2 3.91Å; I105-I145 HydrophobicContact CG1-CG2 3.97Å; I105-T146 PolarHBondContact N-O 2.56Å; I105-G147 CarbonylContact O-C 3.51Å; I105-G147 WeakPolarHBondContact O-CA 3.26Å; I105-L148 PolarHBondContact O-N 3.04Å
106H98.9Very high96.7Very high1 Ų139.2 Ų39.21%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-77.6116.8167.5171.5-160.9000109.9L61 I62 N63 T64 M108 L148 E150L61-H106 HydrophobicContact CD1-CB 4.08Å; I62-H106 PolarHBondContact O-N 3.23Å; N63-H106 CarbonylContact C-O 3.51Å; N63-H106 WeakPolarHBondContact CA-O 3.37Å; N63-H106 HydrophobicContact CB-CB 4.35Å; N63-H106 WeakPolarHBondContact OD1-CB 3.33Å; T64-H106 PolarHBondContact N-O 3.41Å; T64-H106 PolarHBondContact OG1-O 2.96Å; H106-M108 PolarHBondContact O-N 3.33Å; H106-L148 WeakPolarHBondContact CA-O 3.35Å; H106-L148 HydrophobicContact CB-CB 4.48Å; H106-E150 WeakPolarHBondContact CE1-CB 3.47Å; H106-E150 IonicContact CE1-OE2 2.67Å; H106-E150 PolarHBondContact CE1-OE2 3Å; H106-E150 IonicContact ND1-OE2 2.59Å; H106-E150 PolarHBondContact ND1-OE2 2.89Å; H106-E150 VanDerWaalsContact ND1-OE2 3.17Å; H106-E150 WeakPolarHBondContact NE2-CB 3.39Å; H106-E150 IonicContact NE2-OE2 3.31Å
107L98.9Very high96.4Very high0 Ų045.8 Ų45.80%024%0.237CC..  trans-8788.6177-55.6172.3000109T64 F86 L90 I105 A109 L133 A136 L140 L148 I181T64-L107 HydrophobicContact CG2-CD2 3.71Å; F86-L107 HydrophobicContact CE2-CB 4.5Å; F86-L107 HydrophobicContact CE2-CD2 4.45Å; F86-L107 HydrophobicContact CZ-CD2 4.13Å; L90-L107 HydrophobicContact CD1-CD2 3.9Å; I105-L107 HydrophobicContact CG2-CD2 3.9Å; I105-L107 PolarHBondContact O-N 3.17Å; L107-A109 PolarHBondContact O-N 2.76Å; L107-L133 HydrophobicContact CB-CD2 4.08Å; L107-L133 HydrophobicContact CD1-CD2 3.46Å; L107-L133 VanDerWaalsContact CD1-CD2 3.46Å; L107-L133 HydrophobicContact CG-CD2 4.41Å; L107-A136 HydrophobicContact CD1-CB 3.72Å; L107-A136 HydrophobicContact CD2-CB 4.21Å; L107-L140 HydrophobicContact CD1-CD1 4.4Å; L107-L148 PolarHBondContact N-O 3.19Å; L107-I181 HydrophobicContact CD1-CD1 4.09Å
108M98.8Very high96.2Very high10 Ų1049.5 Ų49.55%0.04925%0.25CS..  trans-62.6124.6-173.2-62-169.375.900111.4W39 N63 T64 L74 L76 G77 H106W39-M108 HydrophobicContact CZ2-CE 3.93Å; W39-M108 HydrophobicContact CZ2-SD 3.64Å; W39-M108 PolarHBondContact NE1-SD 3.45Å; W39-M108 VanDerWaalsContact NE1-SD 3.44Å; N63-M108 HydrophobicContact CB-CG 4Å; N63-M108 HydrophobicContact CB-SD 3.92Å; T64-M108 PolarHBondContact OG1-N 3.43Å; L74-M108 HydrophobicContact CD1-CE 3.98Å; L74-M108 HydrophobicContact CG-CE 3.87Å; L76-M108 PolarHBondContact N-O 3.19Å; G77-M108 PolarHBondContact N-O 3.33Å; H106-M108 PolarHBondContact O-N 3.33Å
109A98.7Very high96Very high0 Ų048.7 Ų48.70%027%0.266CS..BIsolated β-bridgetrans-67.7-46-174.200000112.2G77 A78 L107 F129 Y161 F162 L163G77-A109 PolarHBondContact N-O 3.48Å; G77-A109 VanDerWaalsContact N-O 3.13Å; A78-A109 WeakPolarHBondContact CA-O 3.32Å; A78-A109 HydrophobicContact CB-CB 4.24Å; A78-A109 VanDerWaalsContact CB-O 3.27Å; A78-A109 WeakPolarHBondContact CB-O 3.44Å; A78-A109 PolarHBondContact N-O 2.82Å; L107-A109 PolarHBondContact O-N 2.76Å; A109-F129 HydrophobicContact CB-CE1 4.04Å; A109-F129 HydrophobicContact CB-CE2 4.17Å; A109-F129 HydrophobicContact CB-CZ 3.8Å; A109-Y161 HydrophobicContact CB-CE1 4.14Å; A109-Y161 PolarHBondContact N-OH 3.45Å; A109-Y161 VanDerWaalsContact N-OH 3.11Å; A109-F162 HydrophobicContact CB-CD1 4.16Å; A109-L163 HydrophobicContact CB-CB 3.98Å
110G98.2Very high95.9Very high0 Ų051.2 Ų51.20%029%0.287CS..  trans105.8176.8-176.900000113.9L74 G75 F162L74-G110 WeakPolarHBondContact O-CA 3.49Å; G75-G110 WeakPolarHBondContact O-CA 3.38Å; G110-F162 WeakPolarHBondContact O-CB 3.29Å; G110-F162 PolarHBondContact O-N 2.96Å
111R98.1Very high95.9Very high52 Ų5252.4 Ų52.420%0.19629%0.293CS..BIsolated β-bridgetrans-97151.4-177.9-74.7161.9169159.15.6111.2G72 D73 L74 M125 D158 R160G72-R111 VanDerWaalsContact C-NH1 3.28Å; G72-R111 WeakPolarHBondContact O-CD 3.37Å; G72-R111 PolarHBondContact O-NH1 3.25Å; D73-R111 PolarHBondContact O-NH1 3.41Å; L74-R111 HydrophobicContact CB-CG 4.12Å; R111-M125 WeakPolarHBondContact O-CE 3.41Å; R111-D158 IonicContact CZ-OD2 3.62Å; R111-D158 IonicContact NE-OD1 3.27Å; R111-D158 IonicContact NE-OD2 3.21Å; R111-D158 PolarHBondContact NE-OD2 2.91Å; R111-D158 IonicContact NH2-OD2 2.69Å; R111-D158 PolarHBondContact NH2-OD2 3.02Å; R111-R160 CarbonylContact C-O 3.56Å; R111-R160 WeakPolarHBondContact CA-O 3.38Å; R111-R160 HydrophobicContact CB-CB 4.1Å; R111-R160 HydrophobicContact CG-CB 4.12Å
112I97Very high95.8Very high10 Ų1049.5 Ų49.55%0.05128%0.282CS..PPolyproline II helixtrans-60.8130.9162.6-64.7168.6000108.1A116 R118 I121 M125 R160I112-A116 HydrophobicContact CG2-CB 4.37Å; I112-R118 HydrophobicContact CD1-CB 3.6Å; I112-R118 HydrophobicContact CD1-CG 3.55Å; I112-R118 VanDerWaalsContact CD1-NE 3.33Å; I112-I121 HydrophobicContact CG2-CG2 3.96Å; I112-M125 HydrophobicContact CG1-SD 3.91Å; I112-R160 WeakPolarHBondContact CG1-O 3.3Å; I112-R160 PolarHBondContact N-O 3.46Å
113P91.9Very high95.8Very high52 Ų5256.3 Ų56.334%0.33831%0.307SS..PPolyproline II helixtrans-53.6143.1176.2-26.234.1000111.8D115 A116P113-D115 PolarHBondContact O-N 2.97Å; P113-A116 HydrophobicContact CB-CB 3.96Å; P113-A116 HydrophobicContact CG-CB 4.3Å; P113-A116 PolarHBondContact O-N 2.9Å
114V88.4Confident95.8Very high108 Ų10856.9 Ų56.966%0.65531%0.311SS*.THydrogen-bonded Turntrans-56-38.5-175.5177.40000111.9A116V114-A116 VanDerWaalsContact C-N 3.31Å; V114-A116 PolarHBondContact O-N 3.45Å
115D88.3Confident95.8Very high164 Ų16454.7 Ų54.788%0.87730%0.303SS*.THydrogen-bonded Turntrans-91.49.3-175.6-53.5-45.7000113.3P113P113-D115 PolarHBondContact O-N 2.97Å
116A90.8Very high95.8Very high29 Ų2956 Ų5624%0.2431%0.309CS..SBendtrans-114.3140.2-178.300000112.2I112 P113 V114 I121I112-A116 HydrophobicContact CG2-CB 4.37Å; P113-A116 HydrophobicContact CB-CB 3.96Å; P113-A116 HydrophobicContact CG-CB 4.3Å; P113-A116 PolarHBondContact O-N 2.9Å; V114-A116 VanDerWaalsContact C-N 3.31Å; V114-A116 PolarHBondContact O-N 3.45Å; A116-I121 HydrophobicContact CB-CB 4.21Å; A116-I121 HydrophobicContact CB-CG2 4.09Å
117H92.6Very high95.8Very high156 Ų15659.5 Ų59.572%0.72233%0.328SS*.  trans-83.2135.5168-67.5-63.6000110.5A119 A120 I121H117-A119 VanDerWaalsContact C-N 3.27Å; H117-A119 PolarHBondContact O-N 3.28Å; H117-A119 VanDerWaalsContact O-N 3.16Å; H117-A120 HydrophobicContact CB-CB 4.44Å; H117-A120 WeakPolarHBondContact O-CB 3.3Å; H117-A120 PolarHBondContact O-N 3.13Å; H117-I121 PolarHBondContact O-N 3.48Å
118R93.7Very high95.8Very high78 Ų7860 Ų6029%0.29433%0.331SS..Hα-helixtrans-45.3-50.6179-178175.9-73.4-92.91.4112.3I112 A120 I121 A122 Y161 F162 D164I112-R118 HydrophobicContact CD1-CB 3.6Å; I112-R118 HydrophobicContact CD1-CG 3.55Å; I112-R118 VanDerWaalsContact CD1-NE 3.33Å; R118-A120 VanDerWaalsContact C-N 3.25Å; R118-A120 PolarHBondContact O-N 3.47Å; R118-I121 PolarHBondContact O-N 2.89Å; R118-A122 WeakPolarHBondContact O-CB 3.3Å; R118-A122 PolarHBondContact O-N 3.5Å; R118-Y161 PolarHBondContact NH1-O 3.18Å; R118-Y161 PolarHBondContact NH2-O 2.84Å; R118-F162 PolarHBondContact NH1-O 3.03Å; R118-D164 IonicContact CZ-OD2 3.39Å; R118-D164 IonicContact NH1-OD2 3.88Å; R118-D164 PolarHBondContact NH1-OD2 3.4Å; R118-D164 IonicContact NH2-OD2 3.29Å
119A94.6Very high95.8Very high101 Ų10159.5 Ų59.584%0.83533%0.329SS*.Hα-helixtrans-63-29.4-17700000113.8H117H117-A119 VanDerWaalsContact C-N 3.27Å; H117-A119 PolarHBondContact O-N 3.28Å; H117-A119 VanDerWaalsContact O-N 3.16Å
120A95.5Very high95.8Very high83 Ų8360.7 Ų60.769%0.68634%0.336SS*.Hα-helixtrans-79.7-35.6-17900000112.2H117 R118H117-A120 HydrophobicContact CB-CB 4.44Å; H117-A120 WeakPolarHBondContact O-CB 3.3Å; H117-A120 PolarHBondContact O-N 3.13Å; R118-A120 VanDerWaalsContact C-N 3.25Å; R118-A120 PolarHBondContact O-N 3.47Å
121I96.9Very high95.8Very high27 Ų2765.4 Ų65.414%0.13836%0.358CS..Hα-helixtrans-105.3-16.6-171.6-157.468.9000113.9I112 A116 H117 R118 R123 E124 M125I112-I121 HydrophobicContact CG2-CG2 3.96Å; A116-I121 HydrophobicContact CB-CB 4.21Å; A116-I121 HydrophobicContact CB-CG2 4.09Å; H117-I121 PolarHBondContact O-N 3.48Å; R118-I121 PolarHBondContact O-N 2.89Å; I121-R123 PolarHBondContact O-N 3.05Å; I121-R123 VanDerWaalsContact O-N 3.09Å; I121-E124 HydrophobicContact CD1-CB 4.27Å; I121-E124 WeakPolarHBondContact CD1-OE2 3.39Å; I121-E124 PolarHBondContact O-N 2.69Å; I121-E124 VanDerWaalsContact O-N 3.09Å; I121-M125 HydrophobicContact CG1-CG 4Å; I121-M125 HydrophobicContact CG1-SD 4.48Å; I121-M125 HydrophobicContact CG2-CG 4.26Å; I121-M125 HydrophobicContact CG2-SD 3.86Å; I121-M125 WeakPolarHBondContact O-CG 3.23Å; I121-M125 PolarHBondContact O-N 3.1Å
122A96.3Very high95.8Very high31 Ų3162.9 Ų62.926%0.25635%0.348SS..Hα-helixtrans-56.3-34.7-172.500000113.4R118 E126 F162R118-A122 WeakPolarHBondContact O-CB 3.3Å; R118-A122 PolarHBondContact O-N 3.5Å; A122-E126 WeakPolarHBondContact O-CB 3.29Å; A122-E126 PolarHBondContact O-N 3.33Å; A122-F162 HydrophobicContact CB-CE2 4.37Å; A122-F162 WeakPolarHBondContact O-CE2 3.43Å
123R97.9Very high95.9Very high144 Ų14462.4 Ų62.454%0.54335%0.346SS..Hα-helixtrans-68.5-46.6178.8-179.461.9-159.9-1663.8112I121 M125 E126 D127I121-R123 PolarHBondContact O-N 3.05Å; I121-R123 VanDerWaalsContact O-N 3.09Å; R123-M125 VanDerWaalsContact C-N 3.34Å; R123-E126 IonicContact CZ-OE1 3.2Å; R123-E126 IonicContact NH1-OE1 2.78Å; R123-E126 PolarHBondContact NH1-OE1 3.2Å; R123-E126 VanDerWaalsContact NH1-OE1 3.16Å; R123-E126 WeakPolarHBondContact O-CB 3.33Å; R123-E126 PolarHBondContact O-N 2.89Å; R123-D127 IonicContact CZ-OD1 3.53Å; R123-D127 VanDerWaalsContact CZ-OD1 3.27Å; R123-D127 IonicContact CZ-OD2 3.1Å; R123-D127 IonicContact NE-OD1 2.73Å; R123-D127 PolarHBondContact NE-OD1 2.98Å; R123-D127 IonicContact NE-OD2 2.69Å; R123-D127 PolarHBondContact NE-OD2 3.48Å; R123-D127 VanDerWaalsContact NE-OD2 3.12Å; R123-D127 IonicContact NH2-OD1 3.71Å; R123-D127 PolarHBondContact NH2-OD1 3.41Å; R123-D127 IonicContact NH2-OD2 2.67Å; R123-D127 PolarHBondContact O-N 3.11Å
124E98.4Very high96.3Very high102 Ų10262.8 Ų62.848%0.47735%0.345SS..Hα-helixtrans-62.7-43.5177.4-171.2-178.6170.700111P80 I121 E126 D127 V128P80-E124 HydrophobicContact CB-CG 4.07Å; P80-E124 VanDerWaalsContact CB-OE1 3.25Å; P80-E124 WeakPolarHBondContact CB-OE1 3.3Å; P80-E124 HydrophobicContact CG-CB 4.4Å; P80-E124 HydrophobicContact CG-CG 3.74Å; I121-E124 HydrophobicContact CD1-CB 4.27Å; I121-E124 WeakPolarHBondContact CD1-OE2 3.39Å; I121-E124 PolarHBondContact O-N 2.69Å; I121-E124 VanDerWaalsContact O-N 3.09Å; E124-E126 VanDerWaalsContact C-N 3.31Å; E124-E126 PolarHBondContact O-N 2.91Å; E124-D127 PolarHBondContact O-N 3.27Å; E124-V128 WeakPolarHBondContact O-CB 3.19Å; E124-V128 VanDerWaalsContact O-CG2 3.3Å; E124-V128 WeakPolarHBondContact O-CG2 3.4Å; E124-V128 PolarHBondContact O-N 3.21Å
125M98.6Very high96.8Very high0 Ų061.3 Ų61.30%033%0.328CS..Hα-helixtrans-60.4-40.5174.7-66.7-169.575.700112.3A78 P80 R111 I112 I121 R123 F129 F162A78-M125 HydrophobicContact CB-CB 4.35Å; A78-M125 HydrophobicContact CB-CE 4.11Å; A78-M125 VanDerWaalsContact O-CA 3.26Å; A78-M125 WeakPolarHBondContact O-CA 3.29Å; A78-M125 VanDerWaalsContact O-CB 3.31Å; A78-M125 WeakPolarHBondContact O-CB 3.37Å; A78-M125 WeakPolarHBondContact O-CE 3.39Å; A78-M125 WeakPolarHBondContact O-CG 3.48Å; P80-M125 HydrophobicContact CG-CG 4.25Å; R111-M125 WeakPolarHBondContact O-CE 3.41Å; I112-M125 HydrophobicContact CG1-SD 3.91Å; I121-M125 HydrophobicContact CG1-CG 4Å; I121-M125 HydrophobicContact CG1-SD 4.48Å; I121-M125 HydrophobicContact CG2-CG 4.26Å; I121-M125 HydrophobicContact CG2-SD 3.86Å; I121-M125 WeakPolarHBondContact O-CG 3.23Å; I121-M125 PolarHBondContact O-N 3.1Å; R123-M125 VanDerWaalsContact C-N 3.34Å; M125-F129 VanDerWaalsContact O-CB 3.3Å; M125-F129 WeakPolarHBondContact O-CB 3.49Å; M125-F129 PolarHBondContact O-N 3.25Å; M125-F162 HydrophobicContact CB-CD2 3.66Å; M125-F162 HydrophobicContact CB-CE1 4.4Å; M125-F162 HydrophobicContact CB-CE2 3.45Å; M125-F162 VanDerWaalsContact CB-CE2 3.45Å; M125-F162 HydrophobicContact CB-CG 4.24Å; M125-F162 HydrophobicContact CB-CZ 3.86Å; M125-F162 HydrophobicContact CE-CB 3.61Å; M125-F162 HydrophobicContact CE-CD2 3.94Å; M125-F162 HydrophobicContact CE-CG 3.8Å; M125-F162 HydrophobicContact CG-CD2 4.28Å; M125-F162 HydrophobicContact CG-CE2 4.45Å; M125-F162 HydrophobicContact SD-CB 4.34Å; M125-F162 HydrophobicContact SD-CD2 3.7Å; M125-F162 HydrophobicContact SD-CE2 4.4Å; M125-F162 HydrophobicContact SD-CG 4.21Å
126E98.8Very high97.3Very high28 Ų2853.5 Ų53.513%0.13129%0.286CS..Hα-helixtrans-63.5-46.9175.8-168.7-170.779.400111.8A122 R123 E124 V128 F129 V130 F162 I172 K175A122-E126 WeakPolarHBondContact O-CB 3.29Å; A122-E126 PolarHBondContact O-N 3.33Å; R123-E126 IonicContact CZ-OE1 3.2Å; R123-E126 IonicContact NH1-OE1 2.78Å; R123-E126 PolarHBondContact NH1-OE1 3.2Å; R123-E126 VanDerWaalsContact NH1-OE1 3.16Å; R123-E126 WeakPolarHBondContact O-CB 3.33Å; R123-E126 PolarHBondContact O-N 2.89Å; E124-E126 VanDerWaalsContact C-N 3.31Å; E124-E126 PolarHBondContact O-N 2.91Å; E126-V128 VanDerWaalsContact C-N 3.33Å; E126-V128 PolarHBondContact O-N 3.25Å; E126-F129 PolarHBondContact O-N 3.3Å; E126-V130 WeakPolarHBondContact O-CG2 3.49Å; E126-V130 PolarHBondContact O-N 2.86Å; E126-F162 HydrophobicContact CB-CZ 3.95Å; E126-I172 HydrophobicContact CG-CD1 4.16Å; E126-I172 HydrophobicContact CG-CG1 4.03Å; E126-K175 IonicContact OE1-NZ 2.69Å; E126-K175 PolarHBondContact OE1-NZ 3.36Å; E126-K175 IonicContact OE2-NZ 3.89Å; E126-K175 PolarHBondContact OE2-NZ 3.17Å
127D98.8Very high97.6Very high74 Ų7452.2 Ų52.240%0.39628%0.276SS..Hα-helixtrans-60.9-43.5179.5-70.2-35.1000110.6R123 E124 V130 Q131R123-D127 IonicContact CZ-OD1 3.53Å; R123-D127 VanDerWaalsContact CZ-OD1 3.27Å; R123-D127 IonicContact CZ-OD2 3.1Å; R123-D127 IonicContact NE-OD1 2.73Å; R123-D127 PolarHBondContact NE-OD1 2.98Å; R123-D127 IonicContact NE-OD2 2.69Å; R123-D127 PolarHBondContact NE-OD2 3.48Å; R123-D127 VanDerWaalsContact NE-OD2 3.12Å; R123-D127 IonicContact NH2-OD1 3.71Å; R123-D127 PolarHBondContact NH2-OD1 3.41Å; R123-D127 IonicContact NH2-OD2 2.67Å; R123-D127 PolarHBondContact O-N 3.11Å; E124-D127 PolarHBondContact O-N 3.27Å; D127-V130 PolarHBondContact O-N 3.49Å; D127-Q131 WeakPolarHBondContact O-CB 3.34Å; D127-Q131 PolarHBondContact O-N 2.78Å
128V98.8Very high97.9Very high11 Ų1146.7 Ų46.77%0.06726%0.261CS..Hα-helixtrans-63.1-43.1174.1170.90000111.5P80 E83 E124 E126 Q131 N132P80-V128 HydrophobicContact CB-CG2 4.1Å; P80-V128 HydrophobicContact CG-CG2 4.17Å; E83-V128 HydrophobicContact CG-CG1 4.01Å; E124-V128 WeakPolarHBondContact O-CB 3.19Å; E124-V128 VanDerWaalsContact O-CG2 3.3Å; E124-V128 WeakPolarHBondContact O-CG2 3.4Å; E124-V128 PolarHBondContact O-N 3.21Å; E126-V128 VanDerWaalsContact C-N 3.33Å; E126-V128 PolarHBondContact O-N 3.25Å; V128-Q131 WeakPolarHBondContact O-CB 3.45Å; V128-Q131 PolarHBondContact O-N 2.72Å; V128-N132 WeakPolarHBondContact O-CB 3.06Å; V128-N132 PolarHBondContact O-N 3.2Å
129F98.9Very high98.1Very high0 Ų044.7 Ų44.70%026%0.256CS..Hα-helixtrans-65.1-45.6179.9-163.2-151.4000111.5G77 A78 A109 M125 E126 Q131 N132 L133 I149 F162 L163 I172G77-F129 WeakPolarHBondContact O-CA 3.43Å; G77-F129 WeakPolarHBondContact O-CD2 3.41Å; A78-F129 HydrophobicContact CB-CB 3.63Å; A78-F129 HydrophobicContact CB-CD1 4.43Å; A78-F129 HydrophobicContact CB-CD2 4.13Å; A78-F129 HydrophobicContact CB-CG 3.85Å; A109-F129 HydrophobicContact CB-CE1 4.04Å; A109-F129 HydrophobicContact CB-CE2 4.17Å; A109-F129 HydrophobicContact CB-CZ 3.8Å; M125-F129 VanDerWaalsContact O-CB 3.3Å; M125-F129 WeakPolarHBondContact O-CB 3.49Å; M125-F129 PolarHBondContact O-N 3.25Å; E126-F129 PolarHBondContact O-N 3.3Å; F129-Q131 VanDerWaalsContact C-N 3.29Å; F129-Q131 PolarHBondContact O-N 2.8Å; F129-N132 PolarHBondContact O-N 3.27Å; F129-L133 HydrophobicContact CD1-CD1 3.97Å; F129-L133 HydrophobicContact CD2-CD1 4.05Å; F129-L133 HydrophobicContact CD2-CD2 4.19Å; F129-L133 HydrophobicContact CD2-CG 3.82Å; F129-L133 HydrophobicContact CE1-CD1 3.9Å; F129-L133 HydrophobicContact CE2-CD1 4Å; F129-L133 HydrophobicContact CE2-CD2 3.67Å; F129-L133 HydrophobicContact CE2-CG 3.8Å; F129-L133 HydrophobicContact CG-CD1 4.06Å; F129-L133 HydrophobicContact CG-CG 4.26Å; F129-L133 HydrophobicContact CZ-CD1 3.93Å; F129-L133 HydrophobicContact CZ-CD2 4.03Å; F129-L133 HydrophobicContact CZ-CG 4.2Å; F129-L133 WeakPolarHBondContact O-CB 3.26Å; F129-L133 WeakPolarHBondContact O-CG 3.31Å; F129-L133 PolarHBondContact O-N 3.43Å; F129-I149 HydrophobicContact CE1-CB 4.39Å; F129-I149 HydrophobicContact CE1-CD1 4.35Å; F129-I149 HydrophobicContact CE1-CG2 4.06Å; F129-I149 HydrophobicContact CE2-CG2 4.33Å; F129-I149 HydrophobicContact CZ-CB 4.06Å; F129-I149 HydrophobicContact CZ-CG2 3.49Å; F129-I149 VanDerWaalsContact CZ-CG2 3.49Å; F129-F162 HydrophobicContact CB-CE1 4.41Å; F129-F162 HydrophobicContact CD1-CD1 4.49Å; F129-F162 HydrophobicContact CD1-CE1 4.04Å; F129-L163 HydrophobicContact CE1-CD2 4.14Å; F129-I172 HydrophobicContact CD1-CD1 3.94Å; F129-I172 HydrophobicContact CD1-CG2 4.03Å; F129-I172 HydrophobicContact CE1-CD1 4.42Å; F129-I172 HydrophobicContact CE1-CG2 4.36Å
130V98.9Very high98.3Very high24 Ų2439.9 Ų39.915%0.14522%0.216CC..Hα-helixtrans-59.3-41.3175.5171.30000111E126 D127 N134 I172 K175 V176E126-V130 WeakPolarHBondContact O-CG2 3.49Å; E126-V130 PolarHBondContact O-N 2.86Å; D127-V130 PolarHBondContact O-N 3.49Å; V130-N134 WeakPolarHBondContact O-CB 3.46Å; V130-N134 PolarHBondContact O-N 2.91Å; V130-N134 PolarHBondContact O-ND2 2.88Å; V130-I172 HydrophobicContact CG2-CG2 4.13Å; V130-K175 HydrophobicContact CG1-CB 4.44Å; V130-K175 HydrophobicContact CG2-CB 4.1Å; V130-K175 HydrophobicContact CG2-CD 4.38Å; V130-V176 HydrophobicContact CG1-CG2 4.24Å; V130-V176 HydrophobicContact CG2-CG2 4.41Å
131Q98.8Very high98.5Very high99 Ų9938.7 Ų38.746%0.46321%0.206SC..Hα-helixtrans-60.8-48.3174.8172.9177-37.500112D127 V128 F129 N134 Y135D127-Q131 WeakPolarHBondContact O-CB 3.34Å; D127-Q131 PolarHBondContact O-N 2.78Å; V128-Q131 WeakPolarHBondContact O-CB 3.45Å; V128-Q131 PolarHBondContact O-N 2.72Å; F129-Q131 VanDerWaalsContact C-N 3.29Å; F129-Q131 PolarHBondContact O-N 2.8Å; Q131-N134 PolarHBondContact O-N 3.47Å; Q131-Y135 PolarHBondContact O-N 3.42Å
132N98.9Very high98.5Very high0 Ų045.6 Ų45.60%024%0.235CC..Hα-helixtrans-69.2-36.6-179-82.1-25.5000112.7G77 F86 V128 F129 Y135 A136G77-N132 WeakPolarHBondContact O-CB 3.44Å; G77-N132 PolarHBondContact O-ND2 3.43Å; F86-N132 HydrophobicContact CD1-CB 3.68Å; F86-N132 VanDerWaalsContact CD1-CG 3.45Å; F86-N132 HydrophobicContact CE1-CB 3.52Å; F86-N132 HydrophobicContact CG-CB 4.43Å; F86-N132 HydrophobicContact CZ-CB 4.15Å; V128-N132 WeakPolarHBondContact O-CB 3.06Å; V128-N132 PolarHBondContact O-N 3.2Å; F129-N132 PolarHBondContact O-N 3.27Å; N132-Y135 PolarHBondContact O-N 2.79Å; N132-A136 VanDerWaalsContact O-CB 3.31Å; N132-A136 WeakPolarHBondContact O-CB 3.15Å; N132-A136 PolarHBondContact O-N 3.31Å
133L98.9Very high98.6Very high0 Ų047.7 Ų47.70%024%0.24CC..Hα-helixtrans-66.4-40.3173.2-68.2177.8000111.8L107 F129 A136 A137 I149 I172 V176 I181L107-L133 HydrophobicContact CB-CD2 4.08Å; L107-L133 HydrophobicContact CD1-CD2 3.46Å; L107-L133 VanDerWaalsContact CD1-CD2 3.46Å; L107-L133 HydrophobicContact CG-CD2 4.41Å; F129-L133 HydrophobicContact CD1-CD1 3.97Å; F129-L133 HydrophobicContact CD2-CD1 4.05Å; F129-L133 HydrophobicContact CD2-CD2 4.19Å; F129-L133 HydrophobicContact CD2-CG 3.82Å; F129-L133 HydrophobicContact CE1-CD1 3.9Å; F129-L133 HydrophobicContact CE2-CD1 4Å; F129-L133 HydrophobicContact CE2-CD2 3.67Å; F129-L133 HydrophobicContact CE2-CG 3.8Å; F129-L133 HydrophobicContact CG-CD1 4.06Å; F129-L133 HydrophobicContact CG-CG 4.26Å; F129-L133 HydrophobicContact CZ-CD1 3.93Å; F129-L133 HydrophobicContact CZ-CD2 4.03Å; F129-L133 HydrophobicContact CZ-CG 4.2Å; F129-L133 WeakPolarHBondContact O-CB 3.26Å; F129-L133 WeakPolarHBondContact O-CG 3.31Å; F129-L133 PolarHBondContact O-N 3.43Å; L133-A136 PolarHBondContact O-N 3.07Å; L133-A137 VanDerWaalsContact O-CB 3.25Å; L133-A137 WeakPolarHBondContact O-CB 3.37Å; L133-A137 PolarHBondContact O-N 3.23Å; L133-I149 HydrophobicContact CD1-CG2 3.96Å; L133-I149 HydrophobicContact CD2-CG2 3.6Å; L133-I149 HydrophobicContact CG-CG2 4.44Å; L133-I172 HydrophobicContact CD1-CG2 3.62Å; L133-V176 HydrophobicContact CB-CG1 4.31Å; L133-V176 HydrophobicContact CB-CG2 3.66Å; L133-V176 HydrophobicContact CD1-CG2 3.81Å; L133-V176 HydrophobicContact CG-CG2 4.41Å; L133-I181 HydrophobicContact CD2-CG2 4.26Å
134N98.8Very high98.6Very high59 Ų5943.4 Ų43.432%0.31624%0.241SC..Hα-helixtrans-62.1-43.3173.5-88.4-65.3000112.1V130 Q131 G138V130-N134 WeakPolarHBondContact O-CB 3.46Å; V130-N134 PolarHBondContact O-N 2.91Å; V130-N134 PolarHBondContact O-ND2 2.88Å; Q131-N134 PolarHBondContact O-N 3.47Å; N134-G138 PolarHBondContact O-N 3.03Å
135Y98.8Very high98.6Very high77 Ų7738.8 Ų38.830%0.30222%0.219SC..Hα-helixtrans-61-50.7174.1176.8-91.6000111.4R87 L90 Q131 N132 A137 G138 I139R87-Y135 HydrophobicContact CB-CE1 3.95Å; R87-Y135 HydrophobicContact CG-CD1 3.75Å; R87-Y135 HydrophobicContact CG-CE1 3.42Å; R87-Y135 VanDerWaalsContact CG-CE1 3.42Å; R87-Y135 HydrophobicContact CG-CE2 4.48Å; R87-Y135 HydrophobicContact CG-CG 4.41Å; L90-Y135 HydrophobicContact CD2-CD1 4.29Å; L90-Y135 HydrophobicContact CD2-CE1 4.24Å; Q131-Y135 PolarHBondContact O-N 3.42Å; N132-Y135 PolarHBondContact O-N 2.79Å; Y135-A137 PolarHBondContact O-N 3.32Å; Y135-G138 PolarHBondContact O-N 2.85Å; Y135-I139 HydrophobicContact CD1-CD1 3.95Å; Y135-I139 HydrophobicContact CE1-CD1 3.22Å; Y135-I139 HydrophobicContact CE1-CG1 4.41Å; Y135-I139 HydrophobicContact CE2-CD1 4.12Å; Y135-I139 PolarHBondContact O-N 3.31Å; Y135-I139 WeakPolarHBondContact OH-CD1 3.48Å
136A98.8Very high98.6Very high0 Ų040.4 Ų40.40%023%0.229CC..Hα-helixtrans-59.7-45.4179.400000111.3F86 L90 L107 N132 L133 G138 I139 L140F86-A136 HydrophobicContact CZ-CB 4.43Å; L90-A136 HydrophobicContact CD2-CB 3.72Å; L107-A136 HydrophobicContact CD1-CB 3.72Å; L107-A136 HydrophobicContact CD2-CB 4.21Å; N132-A136 VanDerWaalsContact O-CB 3.31Å; N132-A136 WeakPolarHBondContact O-CB 3.15Å; N132-A136 PolarHBondContact O-N 3.31Å; L133-A136 PolarHBondContact O-N 3.07Å; A136-G138 VanDerWaalsContact C-N 3.28Å; A136-G138 PolarHBondContact O-N 3.09Å; A136-I139 PolarHBondContact O-N 2.93Å; A136-L140 HydrophobicContact CB-CD1 4.49Å; A136-L140 WeakPolarHBondContact O-CB 3.37Å; A136-L140 VanDerWaalsContact O-CG 3.25Å; A136-L140 WeakPolarHBondContact O-CG 3.44Å; A136-L140 PolarHBondContact O-N 3.41Å
137A98.8Very high98.6Very high2 Ų239.1 Ų39.12%0.01722%0.223CC..Hα-helixtrans-53.9-43.8179.300000112.5L133 Y135 I139 A141 K178 N180 I181L133-A137 VanDerWaalsContact O-CB 3.25Å; L133-A137 WeakPolarHBondContact O-CB 3.37Å; L133-A137 PolarHBondContact O-N 3.23Å; Y135-A137 PolarHBondContact O-N 3.32Å; A137-I139 VanDerWaalsContact C-N 3.32Å; A137-I139 PolarHBondContact O-N 3.05Å; A137-A141 WeakPolarHBondContact O-CB 3.17Å; A137-A141 PolarHBondContact O-N 3.35Å; A137-K178 HydrophobicContact CB-CB 3.89Å; A137-K178 HydrophobicContact CB-CG 3.66Å; A137-N180 PolarHBondContact O-ND2 2.86Å; A137-I181 HydrophobicContact CB-CD1 3.84Å; A137-I181 HydrophobicContact CB-CG1 3.64Å
138G98.4Very high98.6Very high40 Ų4035.6 Ų35.641%0.41220%0.204SC..Hα-helixtrans-66-31.5179.200000113.9N134 Y135 A136 K142N134-G138 PolarHBondContact O-N 3.03Å; Y135-G138 PolarHBondContact O-N 2.85Å; A136-G138 VanDerWaalsContact C-N 3.28Å; A136-G138 PolarHBondContact O-N 3.09Å; G138-K142 WeakPolarHBondContact O-CG 3.21Å
139I98.2Very high98.6Very high36 Ų3635 Ų3519%0.18520%0.201CC..Hα-helixtrans-81.8-49.6177.5-60.9178.3000110.6L90 L94 Y135 A136 A137 A141 K142L90-I139 HydrophobicContact CD2-CD1 4.43Å; L94-I139 HydrophobicContact CD1-CG2 3.31Å; Y135-I139 HydrophobicContact CD1-CD1 3.95Å; Y135-I139 HydrophobicContact CE1-CD1 3.22Å; Y135-I139 HydrophobicContact CE1-CG1 4.41Å; Y135-I139 HydrophobicContact CE2-CD1 4.12Å; Y135-I139 PolarHBondContact O-N 3.31Å; Y135-I139 WeakPolarHBondContact OH-CD1 3.48Å; A136-I139 PolarHBondContact O-N 2.93Å; A137-I139 VanDerWaalsContact C-N 3.32Å; A137-I139 PolarHBondContact O-N 3.05Å; I139-A141 VanDerWaalsContact C-N 3.26Å; I139-A141 PolarHBondContact O-N 3.37Å; I139-K142 WeakPolarHBondContact O-CB 2.94Å; I139-K142 PolarHBondContact O-N 2.88Å; I139-K142 VanDerWaalsContact O-N 3.1Å
140L98.7Very high98.6Very high0 Ų035.4 Ų35.40%020%0.203CC..Hα-helixtrans-60.4-37-178.4-63.7-175000111.8L90 L94 I105 L107 A136 K142 E143 G144 I145 G147 I181L90-L140 HydrophobicContact CD1-CD2 4.11Å; L94-L140 HydrophobicContact CD2-CD2 3.75Å; L94-L140 HydrophobicContact CG-CD2 4.36Å; I105-L140 HydrophobicContact CD1-CD2 3.82Å; L107-L140 HydrophobicContact CD1-CD1 4.4Å; A136-L140 HydrophobicContact CB-CD1 4.49Å; A136-L140 WeakPolarHBondContact O-CB 3.37Å; A136-L140 VanDerWaalsContact O-CG 3.25Å; A136-L140 WeakPolarHBondContact O-CG 3.44Å; A136-L140 PolarHBondContact O-N 3.41Å; L140-K142 VanDerWaalsContact C-N 3.29Å; L140-K142 PolarHBondContact O-N 2.88Å; L140-E143 CarbonylContact O-C 3.5Å; L140-E143 PolarHBondContact O-N 3.49Å; L140-E143 VanDerWaalsContact O-N 3.11Å; L140-G144 PolarHBondContact O-N 2.83Å; L140-G144 VanDerWaalsContact O-N 3.12Å; L140-I145 CarbonylContact C-O 3.55Å; L140-I145 HydrophobicContact CB-CB 4.22Å; L140-I145 HydrophobicContact CB-CG2 4.46Å; L140-I145 WeakPolarHBondContact CB-O 3.37Å; L140-I145 HydrophobicContact CD1-CG2 4.47Å; L140-I145 HydrophobicContact CD2-CB 4.14Å; L140-I145 HydrophobicContact CD2-CG2 3.86Å; L140-I145 HydrophobicContact CG-CG2 4.49Å; L140-I145 PolarHBondContact O-N 3.44Å; L140-G147 VanDerWaalsContact CD1-CA 3.48Å; L140-I181 HydrophobicContact CD1-CD1 4.37Å
141A98.3Very high98.6Very high59 Ų5934.3 Ų34.349%0.48820%0.196SC..Hα-helixtrans-59.5-37176.700000113A137 I139 E143 G144 N180A137-A141 WeakPolarHBondContact O-CB 3.17Å; A137-A141 PolarHBondContact O-N 3.35Å; I139-A141 VanDerWaalsContact C-N 3.26Å; I139-A141 PolarHBondContact O-N 3.37Å; A141-E143 PolarHBondContact O-N 3.47Å; A141-G144 PolarHBondContact O-N 2.85Å; A141-N180 PolarHBondContact N-ND2 3.43Å
142K97.6Very high98.6Very high172 Ų17230.2 Ų30.275%0.74818%0.177SC*.Hα-helixtrans-66.2-25.3178.8-64.6173.1-175.4178.30112.6G138 I139 L140G138-K142 WeakPolarHBondContact O-CG 3.21Å; I139-K142 WeakPolarHBondContact O-CB 2.94Å; I139-K142 PolarHBondContact O-N 2.88Å; I139-K142 VanDerWaalsContact O-N 3.1Å; L140-K142 VanDerWaalsContact C-N 3.29Å; L140-K142 PolarHBondContact O-N 2.88Å
143E97.7Very high98.5Very high74 Ų7430.2 Ų30.235%0.34618%0.177SC..THydrogen-bonded Turntrans-101.60.3-177.7-57.5-67.9166.500112.2L94 K98 L140 A141 I145L94-E143 HydrophobicContact CD2-CG 4.26Å; K98-E143 WeakPolarHBondContact CD-OE2 3.16Å; K98-E143 VanDerWaalsContact CE-OE2 3.23Å; K98-E143 WeakPolarHBondContact CE-OE2 3.46Å; K98-E143 IonicContact NZ-OE1 3.83Å; K98-E143 PolarHBondContact NZ-OE1 2.93Å; K98-E143 IonicContact NZ-OE2 3.91Å; K98-E143 PolarHBondContact NZ-OE2 2.59Å; L140-E143 CarbonylContact O-C 3.5Å; L140-E143 PolarHBondContact O-N 3.49Å; L140-E143 VanDerWaalsContact O-N 3.11Å; A141-E143 PolarHBondContact O-N 3.47Å; E143-I145 VanDerWaalsContact C-N 3.26Å; E143-I145 HydrophobicContact CB-CD1 3.86Å; E143-I145 HydrophobicContact CB-CG1 4.05Å; E143-I145 PolarHBondContact O-N 3.48Å
144G97.8Very high98.5Very high55 Ų5531.6 Ų31.657%0.56719%0.186SC*.THydrogen-bonded Turntrans63.232.2-174.700000113L140 A141L140-G144 PolarHBondContact O-N 2.83Å; L140-G144 VanDerWaalsContact O-N 3.12Å; A141-G144 PolarHBondContact O-N 2.85Å
145I98.7Very high98.4Very high5 Ų536.9 Ų36.93%0.02620%0.201CC..PPolyproline II helixtrans-102.5141.1178.9-64.3171.4000109.4L94 A97 I105 L140 E143L94-I145 HydrophobicContact CD2-CD1 3.73Å; A97-I145 HydrophobicContact CB-CD1 3.98Å; I105-I145 HydrophobicContact CB-CG2 4.45Å; I105-I145 HydrophobicContact CD1-CD1 4.4Å; I105-I145 HydrophobicContact CD1-CG2 3.91Å; I105-I145 HydrophobicContact CG1-CG2 3.97Å; L140-I145 CarbonylContact C-O 3.55Å; L140-I145 HydrophobicContact CB-CB 4.22Å; L140-I145 HydrophobicContact CB-CG2 4.46Å; L140-I145 WeakPolarHBondContact CB-O 3.37Å; L140-I145 HydrophobicContact CD1-CG2 4.47Å; L140-I145 HydrophobicContact CD2-CB 4.14Å; L140-I145 HydrophobicContact CD2-CG2 3.86Å; L140-I145 HydrophobicContact CG-CG2 4.49Å; L140-I145 PolarHBondContact O-N 3.44Å; E143-I145 VanDerWaalsContact C-N 3.26Å; E143-I145 HydrophobicContact CB-CD1 3.86Å; E143-I145 HydrophobicContact CB-CG1 4.05Å; E143-I145 PolarHBondContact O-N 3.48Å
146T98.8Very high98.3Very high34 Ų3438 Ų3821%0.20921%0.211CC..EExtended strand (participates in β ladder)trans-93.3127.5172.2-58.40000109.7K103 R104 I105 L148 N180 Q182K103-T146 PolarHBondContact O-N 3.37Å; R104-T146 CarbonylContact C-O 3.45Å; R104-T146 VanDerWaalsContact CA-O 3.27Å; R104-T146 WeakPolarHBondContact CA-O 3.49Å; I105-T146 PolarHBondContact N-O 2.56Å; T146-L148 HydrophobicContact CG2-CD2 4Å; T146-N180 CarbonylContact C-O 3.49Å; T146-N180 WeakPolarHBondContact CA-O 3.21Å; T146-Q182 HydrophobicContact CG2-CB 4.12Å; T146-Q182 HydrophobicContact CG2-CG 3.95Å
147G98.9Very high98.1Very high0 Ų040.3 Ų40.30%023%0.226CC..EExtended strand (participates in β ladder)trans-83.1141.2167.300000110.1I105 L140 N180 I181 Q182I105-G147 CarbonylContact O-C 3.51Å; I105-G147 WeakPolarHBondContact O-CA 3.26Å; L140-G147 VanDerWaalsContact CD1-CA 3.48Å; G147-N180 PolarHBondContact N-O 2.89Å; G147-I181 CarbonylContact O-C 3.56Å; G147-I181 VanDerWaalsContact O-CA 3.29Å; G147-I181 WeakPolarHBondContact O-CA 3.35Å; G147-Q182 PolarHBondContact O-N 3Å
148L98.9Very high98Very high0 Ų040.6 Ų40.60%023%0.227CC..EExtended strand (participates in β ladder)trans-119.9146.3176.6-58.5177000110.2L61 R104 I105 H106 L107 T146 Q182 Q184 H210L61-L148 HydrophobicContact CD1-CD1 3.7Å; L61-L148 HydrophobicContact CD2-CD1 4.47Å; R104-L148 HydrophobicContact CB-CD1 3.96Å; R104-L148 HydrophobicContact CB-CG 4.4Å; I105-L148 PolarHBondContact O-N 3.04Å; H106-L148 WeakPolarHBondContact CA-O 3.35Å; H106-L148 HydrophobicContact CB-CB 4.48Å; L107-L148 PolarHBondContact N-O 3.19Å; T146-L148 HydrophobicContact CG2-CD2 4Å; L148-Q182 CarbonylContact C-O 3.58Å; L148-Q182 VanDerWaalsContact CA-O 3.3Å; L148-Q182 WeakPolarHBondContact CA-O 3.47Å; L148-Q182 HydrophobicContact CD2-CB 3.9Å; L148-Q184 HydrophobicContact CB-CB 4.18Å; L148-Q184 HydrophobicContact CD1-CB 4.36Å; L148-H210 HydrophobicContact CD1-CB 3.49Å; L148-H210 VanDerWaalsContact CD1-CB 3.49Å; L148-H210 HydrophobicContact CD2-CB 4.45Å
149I98.9Very high97.9Very high0 Ų043.2 Ų43.20%024%0.236CC..EExtended strand (participates in β ladder)trans-119.9137.116568.4175.4000109F129 L133 L163 A169 I172 L173 I181 Q182 Q184F129-I149 HydrophobicContact CE1-CB 4.39Å; F129-I149 HydrophobicContact CE1-CD1 4.35Å; F129-I149 HydrophobicContact CE1-CG2 4.06Å; F129-I149 HydrophobicContact CE2-CG2 4.33Å; F129-I149 HydrophobicContact CZ-CB 4.06Å; F129-I149 HydrophobicContact CZ-CG2 3.49Å; F129-I149 VanDerWaalsContact CZ-CG2 3.49Å; L133-I149 HydrophobicContact CD1-CG2 3.96Å; L133-I149 HydrophobicContact CD2-CG2 3.6Å; L133-I149 HydrophobicContact CG-CG2 4.44Å; I149-L163 HydrophobicContact CB-CD2 3.82Å; I149-L163 HydrophobicContact CD1-CD2 4.05Å; I149-L163 HydrophobicContact CG1-CD2 4.03Å; I149-A169 HydrophobicContact CD1-CB 3.89Å; I149-A169 HydrophobicContact CG1-CB 4.26Å; I149-I172 HydrophobicContact CD1-CG2 4.32Å; I149-L173 HydrophobicContact CD1-CD1 4.28Å; I149-L173 HydrophobicContact CD1-CD2 3.77Å; I149-L173 HydrophobicContact CD1-CG 3.74Å; I149-L173 HydrophobicContact CG1-CD1 4.42Å; I149-L173 HydrophobicContact CG1-CD2 4.1Å; I149-L173 HydrophobicContact CG1-CG 4.3Å; I149-I181 HydrophobicContact CG2-CG2 4.4Å; I149-Q182 PolarHBondContact N-O 3.17Å; I149-Q184 PolarHBondContact O-N 2.85Å
150E98.9Very high97.8Very high7 Ų745.5 Ų45.53%0.03324%0.243CC..  trans-122.4119-174-168.8-16917400110.7H106 I152 Q184 D186 H189 Q212H106-E150 WeakPolarHBondContact CE1-CB 3.47Å; H106-E150 IonicContact CE1-OE2 2.67Å; H106-E150 PolarHBondContact CE1-OE2 3Å; H106-E150 IonicContact ND1-OE2 2.59Å; H106-E150 PolarHBondContact ND1-OE2 2.89Å; H106-E150 VanDerWaalsContact ND1-OE2 3.17Å; H106-E150 WeakPolarHBondContact NE2-CB 3.39Å; H106-E150 IonicContact NE2-OE2 3.31Å; E150-I152 HydrophobicContact CB-CD1 4.38Å; E150-I152 VanDerWaalsContact CD-CD1 3.41Å; E150-I152 HydrophobicContact CG-CD1 3.88Å; E150-I152 PolarHBondContact O-N 3.33Å; E150-Q184 HydrophobicContact CB-CB 3.95Å; E150-Q184 HydrophobicContact CB-CG 4.25Å; E150-Q184 VanDerWaalsContact CD-NE2 3.3Å; E150-Q184 HydrophobicContact CG-CB 4.09Å; E150-Q184 HydrophobicContact CG-CG 3.97Å; E150-Q184 PolarHBondContact OE2-NE2 2.85Å; E150-Q184 VanDerWaalsContact OE2-NE2 3.11Å; E150-D186 WeakPolarHBondContact OE1-CB 3.35Å; E150-H189 IonicContact OE1-CD2 3.2Å; E150-H189 PolarHBondContact OE1-CD2 3.33Å; E150-H189 IonicContact OE1-NE2 3.36Å; E150-Q212 PolarHBondContact OE1-OE1 2.78Å
151P98.6Very high97.8Very high1 Ų145.5 Ų45.51%0.00624%0.243CC..  trans-66.3124.1166.8-2032.2000111.7L163 A169 L183 H189P151-L163 CarbonylContact C-O 3.58Å; P151-L163 VanDerWaalsContact CA-O 3.23Å; P151-L163 WeakPolarHBondContact CA-O 3.47Å; P151-L163 HydrophobicContact CG-CG 4.45Å; P151-A169 HydrophobicContact CG-CB 3.82Å; P151-L183 HydrophobicContact CG-CD1 3.99Å; P151-H189 WeakPolarHBondContact O-CB 3.4Å; P151-H189 PolarHBondContact O-CD2 3.46Å
152I98.5Very high97.8Very high13 Ų1342.8 Ų42.87%0.06722%0.22CC..  trans-108.2133.6177.1-52.4-62.9000109.5E150 T157 D158 Y161 L163 D164 H189E150-I152 HydrophobicContact CB-CD1 4.38Å; E150-I152 VanDerWaalsContact CD-CD1 3.41Å; E150-I152 HydrophobicContact CG-CD1 3.88Å; E150-I152 PolarHBondContact O-N 3.33Å; I152-T157 HydrophobicContact CG2-CG2 3.47Å; I152-T157 VanDerWaalsContact CG2-CG2 3.47Å; I152-D158 HydrophobicContact CG2-CB 4.45Å; I152-Y161 HydrophobicContact CB-CD1 3.45Å; I152-Y161 VanDerWaalsContact CB-CD1 3.45Å; I152-Y161 HydrophobicContact CB-CD2 4.42Å; I152-Y161 HydrophobicContact CB-CE1 3.82Å; I152-Y161 HydrophobicContact CB-CG 3.77Å; I152-Y161 HydrophobicContact CG1-CD1 3.54Å; I152-Y161 HydrophobicContact CG1-CD2 4.32Å; I152-Y161 HydrophobicContact CG1-CE1 3.32Å; I152-Y161 HydrophobicContact CG1-CE2 4.13Å; I152-Y161 HydrophobicContact CG1-CG 4.03Å; I152-Y161 HydrophobicContact CG2-CG 4.39Å; I152-L163 PolarHBondContact N-O 2.84Å; I152-D164 WeakPolarHBondContact O-CA 3.48Å; I152-H189 VanDerWaalsContact CD1-CD2 3.46Å; I152-H189 WeakPolarHBondContact CD1-CD2 3.45Å; I152-H189 VanDerWaalsContact CD1-NE2 3.34Å; I152-H189 WeakPolarHBondContact CD1-NE2 3.39Å
153N98.3Very high97.9Very high0 Ų034.6 Ų34.60%019%0.185CC..  trans-67140.3-179.279.787.7000112.8R155 I156 T157 D158 H189 I192 M193N153-R155 PolarHBondContact OD1-N 2.72Å; N153-I156 VanDerWaalsContact OD1-CG1 3.26Å; N153-I156 WeakPolarHBondContact OD1-CG1 3.26Å; N153-I156 PolarHBondContact OD1-N 3.05Å; N153-T157 VanDerWaalsContact ND2-CB 3.27Å; N153-T157 WeakPolarHBondContact ND2-CB 3.35Å; N153-T157 PolarHBondContact ND2-OG1 3.32Å; N153-T157 PolarHBondContact OD1-N 3.29Å; N153-D158 PolarHBondContact O-N 3.21Å; N153-H189 PolarHBondContact ND2-CE1 3.31Å; N153-H189 PolarHBondContact ND2-ND1 3.21Å; N153-I192 HydrophobicContact CB-CB 4.08Å; N153-I192 HydrophobicContact CB-CG2 3.81Å; N153-M193 HydrophobicContact CB-CG 3.47Å; N153-M193 VanDerWaalsContact CB-CG 3.47Å; N153-M193 HydrophobicContact CB-SD 3.82Å
154T97.3Very high97.8Very high30 Ų3032.5 Ų32.518%0.18418%0.176CC..THydrogen-bonded Turntrans-94.7-1.6179.454.10000113.6D158 P159 D164 M193T154-D158 WeakPolarHBondContact CA-O 3.31Å; T154-D158 WeakPolarHBondContact CG2-O 3.19Å; T154-P159 VanDerWaalsContact O-CA 3.28Å; T154-P159 WeakPolarHBondContact O-CA 3.34Å; T154-D164 HydrophobicContact CG2-CB 3.61Å; T154-M193 PolarHBondContact N-SD 2.79Å; T154-M193 WeakPolarHBondContact OG1-CE 3.4Å
155R97.2Very high97.8Very high170 Ų17030.9 Ų30.964%0.64216%0.155SC*.THydrogen-bonded Turntrans-84.1-42.4-177.8-59-171.5-170.4-164.48.6112.6N153 I192 M193N153-R155 PolarHBondContact OD1-N 2.72Å; R155-I192 HydrophobicContact CB-CG2 3.76Å; R155-I192 WeakPolarHBondContact CD-O 3.34Å; R155-I192 HydrophobicContact CG-CG2 4.01Å; R155-I192 PolarHBondContact NE-O 3.19Å; R155-I192 VanDerWaalsContact NE-O 3.15Å; R155-M193 HydrophobicContact CG-SD 3.86Å; R155-M193 PolarHBondContact NH2-O 3.02Å
156I96.2Very high97.7Very high100 Ų10030.7 Ų30.751%0.51316%0.155SC..THydrogen-bonded Turntrans-133.1-27.6-175.565.8171.7000114.1N153 F188 I192N153-I156 VanDerWaalsContact OD1-CG1 3.26Å; N153-I156 WeakPolarHBondContact OD1-CG1 3.26Å; N153-I156 PolarHBondContact OD1-N 3.05Å; I156-F188 HydrophobicContact CD1-CE1 4.44Å; I156-F188 HydrophobicContact CD1-CE2 4.3Å; I156-F188 HydrophobicContact CD1-CZ 3.62Å; I156-F188 HydrophobicContact CG1-CZ 4.35Å; I156-I192 HydrophobicContact CD1-CD1 3.52Å; I156-I192 HydrophobicContact CG1-CD1 3.85Å
157T96.3Very high97.6Very high49 Ų4933.1 Ų33.130%0.30116%0.164SC..THydrogen-bonded Turntrans-84.8-56.6-179.1-63.30000111.7I152 N153 H189I152-T157 HydrophobicContact CG2-CG2 3.47Å; I152-T157 VanDerWaalsContact CG2-CG2 3.47Å; N153-T157 VanDerWaalsContact ND2-CB 3.27Å; N153-T157 WeakPolarHBondContact ND2-CB 3.35Å; N153-T157 PolarHBondContact ND2-OG1 3.32Å; N153-T157 PolarHBondContact OD1-N 3.29Å; T157-H189 PolarHBondContact OG1-CE1 3.22Å
158D96.8Very high97.6Very high7 Ų734.9 Ų34.94%0.03717%0.172CC..  trans-153.9101.4-179.8-165.9-54.6000112.8L74 R111 I152 N153 T154 R160 Y161L74-D158 HydrophobicContact CD2-CB 4.44Å; L74-D158 VanDerWaalsContact CD2-OD2 3.27Å; L74-D158 WeakPolarHBondContact CD2-OD2 3.38Å; R111-D158 IonicContact CZ-OD2 3.62Å; R111-D158 IonicContact NE-OD1 3.27Å; R111-D158 IonicContact NE-OD2 3.21Å; R111-D158 PolarHBondContact NE-OD2 2.91Å; R111-D158 IonicContact NH2-OD2 2.69Å; R111-D158 PolarHBondContact NH2-OD2 3.02Å; I152-D158 HydrophobicContact CG2-CB 4.45Å; N153-D158 PolarHBondContact O-N 3.21Å; T154-D158 WeakPolarHBondContact CA-O 3.31Å; T154-D158 WeakPolarHBondContact CG2-O 3.19Å; D158-R160 PolarHBondContact O-N 3.4Å; D158-R160 PolarHBondContact OD1-N 3.36Å; D158-Y161 PolarHBondContact O-N 3.4Å; D158-Y161 VanDerWaalsContact O-N 3.13Å; D158-Y161 PolarHBondContact OD1-N 3.38Å; D158-Y161 VanDerWaalsContact OD1-N 3.16Å
159P95.7Very high97.6Very high95 Ų9534.9 Ų34.962%0.61717%0.172SC*.THydrogen-bonded Turntrans-58-19.1-177.4-2735.4000115.8T154T154-P159 VanDerWaalsContact O-CA 3.28Å; T154-P159 WeakPolarHBondContact O-CA 3.34Å
160R96.6Very high97.5Very high84 Ų8435.9 Ų35.932%0.31718%0.18SC..THydrogen-bonded Turntrans-105.3-1.7-176.3-65.6-174.4-66.3138.7-4.6112.9R111 I112 D158 F162R111-R160 CarbonylContact C-O 3.56Å; R111-R160 WeakPolarHBondContact CA-O 3.38Å; R111-R160 HydrophobicContact CB-CB 4.1Å; R111-R160 HydrophobicContact CG-CB 4.12Å; I112-R160 WeakPolarHBondContact CG1-O 3.3Å; I112-R160 PolarHBondContact N-O 3.46Å; D158-R160 PolarHBondContact O-N 3.4Å; D158-R160 PolarHBondContact OD1-N 3.36Å; R160-F162 PolarHBondContact O-N 3.21Å
161Y98.4Very high97.5Very high1 Ų137.3 Ų37.30%0.00419%0.193CC..BIsolated β-bridgetrans-63.8132.3-175.2-155.1-101.4000112.3L74 A109 R118 I152 D158 L163L74-Y161 HydrophobicContact CD2-CD2 4.06Å; L74-Y161 HydrophobicContact CD2-CE2 4.17Å; L74-Y161 HydrophobicContact CG-CE2 4.28Å; L74-Y161 WeakPolarHBondContact O-CE2 3.31Å; A109-Y161 HydrophobicContact CB-CE1 4.14Å; A109-Y161 PolarHBondContact N-OH 3.45Å; A109-Y161 VanDerWaalsContact N-OH 3.11Å; R118-Y161 PolarHBondContact NH1-O 3.18Å; R118-Y161 PolarHBondContact NH2-O 2.84Å; I152-Y161 HydrophobicContact CB-CD1 3.45Å; I152-Y161 VanDerWaalsContact CB-CD1 3.45Å; I152-Y161 HydrophobicContact CB-CD2 4.42Å; I152-Y161 HydrophobicContact CB-CE1 3.82Å; I152-Y161 HydrophobicContact CB-CG 3.77Å; I152-Y161 HydrophobicContact CG1-CD1 3.54Å; I152-Y161 HydrophobicContact CG1-CD2 4.32Å; I152-Y161 HydrophobicContact CG1-CE1 3.32Å; I152-Y161 HydrophobicContact CG1-CE2 4.13Å; I152-Y161 HydrophobicContact CG1-CG 4.03Å; I152-Y161 HydrophobicContact CG2-CG 4.39Å; D158-Y161 PolarHBondContact O-N 3.4Å; D158-Y161 VanDerWaalsContact O-N 3.13Å; D158-Y161 PolarHBondContact OD1-N 3.38Å; D158-Y161 VanDerWaalsContact OD1-N 3.16Å; Y161-L163 HydrophobicContact CD1-CB 4.37Å; Y161-L163 VanDerWaalsContact CD1-O 3.23Å; Y161-L163 WeakPolarHBondContact CD1-O 3.36Å; Y161-L163 HydrophobicContact CE1-CB 4.1Å
162F98.4Very high97.6Very high1 Ų137.3 Ų37.30%0.00419%0.193CC..SBendtrans-68.2-47.2-171.3168.3-109.3000113.1A78 A109 G110 R118 A122 M125 E126 F129 R160 Q168 I172A78-F162 HydrophobicContact CB-CD1 3.52Å; A78-F162 HydrophobicContact CB-CE1 3.88Å; A78-F162 HydrophobicContact CB-CG 4.12Å; A109-F162 HydrophobicContact CB-CD1 4.16Å; G110-F162 WeakPolarHBondContact O-CB 3.29Å; G110-F162 PolarHBondContact O-N 2.96Å; R118-F162 PolarHBondContact NH1-O 3.03Å; A122-F162 HydrophobicContact CB-CE2 4.37Å; A122-F162 WeakPolarHBondContact O-CE2 3.43Å; M125-F162 HydrophobicContact CB-CD2 3.66Å; M125-F162 HydrophobicContact CB-CE1 4.4Å; M125-F162 HydrophobicContact CB-CE2 3.45Å; M125-F162 VanDerWaalsContact CB-CE2 3.45Å; M125-F162 HydrophobicContact CB-CG 4.24Å; M125-F162 HydrophobicContact CB-CZ 3.86Å; M125-F162 HydrophobicContact CE-CB 3.61Å; M125-F162 HydrophobicContact CE-CD2 3.94Å; M125-F162 HydrophobicContact CE-CG 3.8Å; M125-F162 HydrophobicContact CG-CD2 4.28Å; M125-F162 HydrophobicContact CG-CE2 4.45Å; M125-F162 HydrophobicContact SD-CB 4.34Å; M125-F162 HydrophobicContact SD-CD2 3.7Å; M125-F162 HydrophobicContact SD-CE2 4.4Å; M125-F162 HydrophobicContact SD-CG 4.21Å; E126-F162 HydrophobicContact CB-CZ 3.95Å; F129-F162 HydrophobicContact CB-CE1 4.41Å; F129-F162 HydrophobicContact CD1-CD1 4.49Å; F129-F162 HydrophobicContact CD1-CE1 4.04Å; R160-F162 PolarHBondContact O-N 3.21Å; F162-Q168 PolarHBondContact O-NE2 3.4Å; F162-Q168 PolarHBondContact O-OE1 3.46Å; F162-I172 HydrophobicContact CE1-CD1 4.14Å
163L98.5Very high97.6Very high1 Ų137.4 Ų37.41%0.00519%0.194CC..  trans-92.8100.7-176.8-17368.9000109.5A109 F129 I149 P151 I152 Y161 Q168 A169 I172A109-L163 HydrophobicContact CB-CB 3.98Å; F129-L163 HydrophobicContact CE1-CD2 4.14Å; I149-L163 HydrophobicContact CB-CD2 3.82Å; I149-L163 HydrophobicContact CD1-CD2 4.05Å; I149-L163 HydrophobicContact CG1-CD2 4.03Å; P151-L163 CarbonylContact C-O 3.58Å; P151-L163 VanDerWaalsContact CA-O 3.23Å; P151-L163 WeakPolarHBondContact CA-O 3.47Å; P151-L163 HydrophobicContact CG-CG 4.45Å; I152-L163 PolarHBondContact N-O 2.84Å; Y161-L163 HydrophobicContact CD1-CB 4.37Å; Y161-L163 VanDerWaalsContact CD1-O 3.23Å; Y161-L163 WeakPolarHBondContact CD1-O 3.36Å; Y161-L163 HydrophobicContact CE1-CB 4.1Å; L163-Q168 HydrophobicContact CD1-CB 4.27Å; L163-Q168 HydrophobicContact CD1-CG 3.9Å; L163-A169 HydrophobicContact CD1-CB 3.91Å; L163-A169 HydrophobicContact CD2-CB 4.2Å; L163-A169 HydrophobicContact CG-CB 4.33Å; L163-I172 HydrophobicContact CD1-CD1 3.93Å
164D97.3Very high97.6Very high30 Ų3045.1 Ų45.116%0.1623%0.23CC..  trans-121.9-1.7-166.965.99.1000115.4R118 I152 T154 Q168 M193R118-D164 IonicContact CZ-OD2 3.39Å; R118-D164 IonicContact NH1-OD2 3.88Å; R118-D164 PolarHBondContact NH1-OD2 3.4Å; R118-D164 IonicContact NH2-OD2 3.29Å; I152-D164 WeakPolarHBondContact O-CA 3.48Å; T154-D164 HydrophobicContact CG2-CB 3.61Å; D164-Q168 PolarHBondContact OD1-OE1 3.41Å; D164-M193 HydrophobicContact CB-CE 4.32Å; D164-M193 WeakPolarHBondContact O-CG 3.3Å
165S97Very high97.7Very high20 Ų2048.4 Ų48.414%0.1424%0.241CC..  trans-141.8148.7174.362.30000113.5H167 Q168 A169S165-H167 PolarHBondContact O-N 3.1Å; S165-Q168 PolarHBondContact O-N 3.22Å; S165-Q168 WeakPolarHBondContact OG-CB 3.36Å; S165-Q168 PolarHBondContact OG-N 3.43Å; S165-A169 PolarHBondContact O-N 3.41Å
166P96.3Very high97.7Very high1 Ų140.6 Ų40.61%0.00621%0.213CC..Hα-helixtrans-55.8-30.116820.1-35.3000113.9A169 A170 W190 D194 Y204P166-A169 PolarHBondContact O-N 3.27Å; P166-A170 VanDerWaalsContact O-CB 3.3Å; P166-A170 WeakPolarHBondContact O-CB 3.27Å; P166-A170 PolarHBondContact O-N 3.18Å; P166-W190 HydrophobicContact CB-CD2 4.11Å; P166-W190 HydrophobicContact CB-CE3 4.41Å; P166-W190 HydrophobicContact CB-CH2 3.99Å; P166-W190 HydrophobicContact CB-CZ2 3.65Å; P166-W190 HydrophobicContact CB-CZ3 4.36Å; P166-W190 HydrophobicContact CG-CD2 3.94Å; P166-W190 HydrophobicContact CG-CE3 4.28Å; P166-W190 HydrophobicContact CG-CG 4.32Å; P166-W190 HydrophobicContact CG-CZ2 4.39Å; P166-D194 WeakPolarHBondContact CD-OD2 3.01Å; P166-D194 WeakPolarHBondContact CG-OD2 3.28Å; P166-Y204 HydrophobicContact CB-CD2 3.92Å; P166-Y204 HydrophobicContact CB-CE2 3.71Å; P166-Y204 HydrophobicContact CG-CE2 4.18Å
167H97Very high97.8Very high86 Ų8638.7 Ų38.740%0.39822%0.218SC..Hα-helixtrans-66.5-46.3177.1-63.3-98.7000111.8S165 A170 A171 D194 Y204S165-H167 PolarHBondContact O-N 3.1Å; H167-A170 PolarHBondContact O-N 2.89Å; H167-A171 PolarHBondContact O-N 3.29Å; H167-A171 VanDerWaalsContact O-N 3.13Å; H167-D194 IonicContact CD2-OD2 3.27Å; H167-D194 PolarHBondContact CD2-OD2 2.84Å; H167-D194 VanDerWaalsContact CD2-OD2 3.31Å; H167-D194 IonicContact NE2-OD2 3.12Å; H167-Y204 PolarHBondContact CE1-OH 3.43Å; H167-Y204 PolarHBondContact ND1-OH 2.8Å; H167-Y204 PolarHBondContact NE2-OH 2.8Å
168Q98.3Very high97.9Very high37 Ų3741.1 Ų41.117%0.17322%0.224CC..Hα-helixtrans-61.9-46.1174.6-175.3-170.713.700110.7F162 L163 D164 S165 A170 A171 I172F162-Q168 PolarHBondContact O-NE2 3.4Å; F162-Q168 PolarHBondContact O-OE1 3.46Å; L163-Q168 HydrophobicContact CD1-CB 4.27Å; L163-Q168 HydrophobicContact CD1-CG 3.9Å; D164-Q168 PolarHBondContact OD1-OE1 3.41Å; S165-Q168 PolarHBondContact O-N 3.22Å; S165-Q168 WeakPolarHBondContact OG-CB 3.36Å; S165-Q168 PolarHBondContact OG-N 3.43Å; Q168-A170 PolarHBondContact O-N 3.03Å; Q168-A171 PolarHBondContact O-N 3.36Å; Q168-I172 HydrophobicContact CG-CD1 4.12Å; Q168-I172 WeakPolarHBondContact O-CG1 3.44Å; Q168-I172 PolarHBondContact O-N 3.49Å
169A98.6Very high98Very high0 Ų046 Ų460%026%0.259CS..Hα-helixtrans-61.2-44.9178.400000112.6I149 P151 L163 S165 P166 A171 I172 L173 L183I149-A169 HydrophobicContact CD1-CB 3.89Å; I149-A169 HydrophobicContact CG1-CB 4.26Å; P151-A169 HydrophobicContact CG-CB 3.82Å; L163-A169 HydrophobicContact CD1-CB 3.91Å; L163-A169 HydrophobicContact CD2-CB 4.2Å; L163-A169 HydrophobicContact CG-CB 4.33Å; S165-A169 PolarHBondContact O-N 3.41Å; P166-A169 PolarHBondContact O-N 3.27Å; A169-A171 VanDerWaalsContact C-N 3.33Å; A169-A171 PolarHBondContact O-N 2.96Å; A169-I172 PolarHBondContact O-N 2.87Å; A169-L173 VanDerWaalsContact O-CG 3.3Å; A169-L173 WeakPolarHBondContact O-CG 3.43Å; A169-L173 PolarHBondContact O-N 3.19Å; A169-L183 HydrophobicContact CB-CD1 3.58Å
170A98.6Very high98.1Very high21 Ų2143 Ų4317%0.17424%0.237CC..Hα-helixtrans-59.3-42.7176.500000112.2P166 H167 Q168 I172 L173 E174 Y204 I207P166-A170 VanDerWaalsContact O-CB 3.3Å; P166-A170 WeakPolarHBondContact O-CB 3.27Å; P166-A170 PolarHBondContact O-N 3.18Å; H167-A170 PolarHBondContact O-N 2.89Å; Q168-A170 PolarHBondContact O-N 3.03Å; A170-I172 VanDerWaalsContact C-N 3.33Å; A170-I172 PolarHBondContact O-N 2.79Å; A170-L173 PolarHBondContact O-N 2.78Å; A170-E174 PolarHBondContact O-N 3.42Å; A170-Y204 HydrophobicContact CB-CD1 4Å; A170-Y204 HydrophobicContact CB-CE1 3.6Å; A170-I207 HydrophobicContact CB-CD1 3.92Å
171A98.7Very high98.2Very high37 Ų3739.3 Ų39.331%0.30622%0.224SC..Hα-helixtrans-64.7-35.6176.800000112.7H167 Q168 A169 K175H167-A171 PolarHBondContact O-N 3.29Å; H167-A171 VanDerWaalsContact O-N 3.13Å; Q168-A171 PolarHBondContact O-N 3.36Å; A169-A171 VanDerWaalsContact C-N 3.33Å; A169-A171 PolarHBondContact O-N 2.96Å; A171-K175 WeakPolarHBondContact O-CG 3.41Å; A171-K175 PolarHBondContact O-N 2.93Å
172I98.9Very high98.2Very high0 Ų041.9 Ų41.90%024%0.236CC..Hα-helixtrans-70.3-43.1175.4-68.4174.9000110.8E126 F129 V130 L133 I149 F162 L163 Q168 A169 A170 E174 K175 V176E126-I172 HydrophobicContact CG-CD1 4.16Å; E126-I172 HydrophobicContact CG-CG1 4.03Å; F129-I172 HydrophobicContact CD1-CD1 3.94Å; F129-I172 HydrophobicContact CD1-CG2 4.03Å; F129-I172 HydrophobicContact CE1-CD1 4.42Å; F129-I172 HydrophobicContact CE1-CG2 4.36Å; V130-I172 HydrophobicContact CG2-CG2 4.13Å; L133-I172 HydrophobicContact CD1-CG2 3.62Å; I149-I172 HydrophobicContact CD1-CG2 4.32Å; F162-I172 HydrophobicContact CE1-CD1 4.14Å; L163-I172 HydrophobicContact CD1-CD1 3.93Å; Q168-I172 HydrophobicContact CG-CD1 4.12Å; Q168-I172 WeakPolarHBondContact O-CG1 3.44Å; Q168-I172 PolarHBondContact O-N 3.49Å; A169-I172 PolarHBondContact O-N 2.87Å; A170-I172 VanDerWaalsContact C-N 3.33Å; A170-I172 PolarHBondContact O-N 2.79Å; I172-E174 VanDerWaalsContact C-N 3.3Å; I172-E174 PolarHBondContact O-N 2.99Å; I172-K175 PolarHBondContact O-N 3.45Å; I172-V176 HydrophobicContact CG2-CG2 4.42Å; I172-V176 WeakPolarHBondContact O-CG2 3.41Å; I172-V176 PolarHBondContact O-N 2.67Å
173L98.9Very high98.3Very high16 Ų1641.8 Ų41.88%0.08424%0.236CC..Hα-helixtrans-61.7-38.3176.4-68.9174000112.1I149 A169 A170 V176 G177 I181 L183 I207I149-L173 HydrophobicContact CD1-CD1 4.28Å; I149-L173 HydrophobicContact CD1-CD2 3.77Å; I149-L173 HydrophobicContact CD1-CG 3.74Å; I149-L173 HydrophobicContact CG1-CD1 4.42Å; I149-L173 HydrophobicContact CG1-CD2 4.1Å; I149-L173 HydrophobicContact CG1-CG 4.3Å; A169-L173 VanDerWaalsContact O-CG 3.3Å; A169-L173 WeakPolarHBondContact O-CG 3.43Å; A169-L173 PolarHBondContact O-N 3.19Å; A170-L173 PolarHBondContact O-N 2.78Å; L173-V176 PolarHBondContact O-N 2.59Å; L173-G177 PolarHBondContact O-N 3.16Å; L173-I181 HydrophobicContact CD2-CB 4.18Å; L173-I181 HydrophobicContact CD2-CG2 3.53Å; L173-L183 HydrophobicContact CD1-CB 3.85Å; L173-I207 HydrophobicContact CD1-CD1 4.01Å
174E98.7Very high98.3Very high162 Ų16241.8 Ų41.876%0.75724%0.235SC*.Hα-helixtrans-60.7-45173.3-175.6175.1-158.500111.7A170 I172 V176 G177A170-E174 PolarHBondContact O-N 3.42Å; I172-E174 VanDerWaalsContact C-N 3.3Å; I172-E174 PolarHBondContact O-N 2.99Å; E174-V176 PolarHBondContact O-N 2.88Å; E174-G177 PolarHBondContact O-N 2.83Å
175K98.7Very high98.4Very high99 Ų9940.4 Ų40.443%0.4323%0.228SC..Hα-helixtrans-64.6-36.9175.8-69.7169.1-173.4166.50112.9E126 V130 A171 I172E126-K175 IonicContact OE1-NZ 2.69Å; E126-K175 PolarHBondContact OE1-NZ 3.36Å; E126-K175 IonicContact OE2-NZ 3.89Å; E126-K175 PolarHBondContact OE2-NZ 3.17Å; V130-K175 HydrophobicContact CG1-CB 4.44Å; V130-K175 HydrophobicContact CG2-CB 4.1Å; V130-K175 HydrophobicContact CG2-CD 4.38Å; A171-K175 WeakPolarHBondContact O-CG 3.41Å; A171-K175 PolarHBondContact O-N 2.93Å; I172-K175 PolarHBondContact O-N 3.45Å
176V98.6Very high98.4Very high6 Ų639.4 Ų39.44%0.03622%0.221CC..Hα-helixtrans-69.1-41.3176.9170.90000110.6V130 L133 I172 L173 E174 K178 I181V130-V176 HydrophobicContact CG1-CG2 4.24Å; V130-V176 HydrophobicContact CG2-CG2 4.41Å; L133-V176 HydrophobicContact CB-CG1 4.31Å; L133-V176 HydrophobicContact CB-CG2 3.66Å; L133-V176 HydrophobicContact CD1-CG2 3.81Å; L133-V176 HydrophobicContact CG-CG2 4.41Å; I172-V176 HydrophobicContact CG2-CG2 4.42Å; I172-V176 WeakPolarHBondContact O-CG2 3.41Å; I172-V176 PolarHBondContact O-N 2.67Å; L173-V176 PolarHBondContact O-N 2.59Å; E174-V176 PolarHBondContact O-N 2.88Å; V176-K178 VanDerWaalsContact C-N 3.26Å; V176-K178 HydrophobicContact CG1-CB 3.91Å; V176-K178 HydrophobicContact CG1-CG 3.71Å; V176-K178 WeakPolarHBondContact O-CG 3.4Å; V176-K178 PolarHBondContact O-N 3.28Å; V176-I181 HydrophobicContact CG1-CB 4.38Å; V176-I181 HydrophobicContact CG1-CG1 4.2Å
177G98.3Very high98.6Very high60 Ų6039.5 Ų39.562%0.61922%0.221SC*.  trans62.828.5173.900000114.1L173 E174L173-G177 PolarHBondContact O-N 3.16Å; E174-G177 PolarHBondContact O-N 2.83Å
178K98.3Very high98.6Very high100 Ų10035.6 Ų35.644%0.43520%0.203SC..  trans-117.2120.6-180-56.4-59.9178.7-172.70110.4A137 V176 N180 I181A137-K178 HydrophobicContact CB-CB 3.89Å; A137-K178 HydrophobicContact CB-CG 3.66Å; V176-K178 VanDerWaalsContact C-N 3.26Å; V176-K178 HydrophobicContact CG1-CB 3.91Å; V176-K178 HydrophobicContact CG1-CG 3.71Å; V176-K178 WeakPolarHBondContact O-CG 3.4Å; V176-K178 PolarHBondContact O-N 3.28Å; K178-N180 PolarHBondContact O-N 3.37Å; K178-I181 HydrophobicContact CB-CG1 4.17Å; K178-I181 PolarHBondContact O-N 2.85Å; K178-I181 VanDerWaalsContact O-N 3.08Å
179S97.9Very high98.7Very high110 Ų11034 Ų3477%0.76920%0.196SC*.THydrogen-bonded Turntrans-66.2-19.4-177.758.10000114.4I181 Q182S179-I181 VanDerWaalsContact C-N 3.33Å; S179-Q182 PolarHBondContact O-NE2 3.34Å
180N98.6Very high98.7Very high30 Ų3034 Ų3416%0.1620%0.196CC..THydrogen-bonded Turntrans-89.55.1175.872.7-52.1000113.6A137 A141 T146 G147 K178A137-N180 PolarHBondContact O-ND2 2.86Å; A141-N180 PolarHBondContact N-ND2 3.43Å; T146-N180 CarbonylContact C-O 3.49Å; T146-N180 WeakPolarHBondContact CA-O 3.21Å; G147-N180 PolarHBondContact N-O 2.89Å; K178-N180 PolarHBondContact O-N 3.37Å
181I98.9Very high98.7Very high7 Ų735.1 Ų35.14%0.03620%0.197CC..EExtended strand (participates in β ladder)trans-111.1120.6165-52.4-61.3000107.3L107 L133 A137 L140 G147 I149 L173 V176 K178 S179L107-I181 HydrophobicContact CD1-CD1 4.09Å; L133-I181 HydrophobicContact CD2-CG2 4.26Å; A137-I181 HydrophobicContact CB-CD1 3.84Å; A137-I181 HydrophobicContact CB-CG1 3.64Å; L140-I181 HydrophobicContact CD1-CD1 4.37Å; G147-I181 CarbonylContact O-C 3.56Å; G147-I181 VanDerWaalsContact O-CA 3.29Å; G147-I181 WeakPolarHBondContact O-CA 3.35Å; I149-I181 HydrophobicContact CG2-CG2 4.4Å; L173-I181 HydrophobicContact CD2-CB 4.18Å; L173-I181 HydrophobicContact CD2-CG2 3.53Å; V176-I181 HydrophobicContact CG1-CB 4.38Å; V176-I181 HydrophobicContact CG1-CG1 4.2Å; K178-I181 HydrophobicContact CB-CG1 4.17Å; K178-I181 PolarHBondContact O-N 2.85Å; K178-I181 VanDerWaalsContact O-N 3.08Å; S179-I181 VanDerWaalsContact C-N 3.33Å
182Q98.9Very high98.6Very high55 Ų5534.4 Ų34.426%0.25719%0.188SC..EExtended strand (participates in β ladder)trans-131.1167.9-169.5-64.7-177.4-2500111.3T146 G147 L148 I149 S179 I207T146-Q182 HydrophobicContact CG2-CB 4.12Å; T146-Q182 HydrophobicContact CG2-CG 3.95Å; G147-Q182 PolarHBondContact O-N 3Å; L148-Q182 CarbonylContact C-O 3.58Å; L148-Q182 VanDerWaalsContact CA-O 3.3Å; L148-Q182 WeakPolarHBondContact CA-O 3.47Å; L148-Q182 HydrophobicContact CD2-CB 3.9Å; I149-Q182 PolarHBondContact N-O 3.17Å; S179-Q182 PolarHBondContact O-NE2 3.34Å; Q182-I207 WeakPolarHBondContact CB-O 3.29Å
183L98.8Very high98.6Very high0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-86.9131.2178.9-17754.5000110.3P151 A169 L173 W190 Y204 I207 I208 G209P151-L183 HydrophobicContact CG-CD1 3.99Å; A169-L183 HydrophobicContact CB-CD1 3.58Å; L173-L183 HydrophobicContact CD1-CB 3.85Å; L183-W190 HydrophobicContact CD2-CH2 3.95Å; L183-W190 HydrophobicContact CD2-CZ2 3.63Å; L183-W190 HydrophobicContact CG-CZ2 4.03Å; L183-Y204 HydrophobicContact CD2-CG 4.41Å; L183-I207 HydrophobicContact CB-CD1 4.35Å; L183-I207 HydrophobicContact CB-CG1 4.22Å; L183-I207 WeakPolarHBondContact CB-O 3.16Å; L183-I207 HydrophobicContact CD2-CD1 3.98Å; L183-I207 HydrophobicContact CD2-CG1 4.24Å; L183-I207 PolarHBondContact N-O 2.8Å; L183-I208 CarbonylContact O-C 3.54Å; L183-I208 WeakPolarHBondContact O-CA 3.35Å; L183-G209 PolarHBondContact O-N 3.24Å
184Q98.9Very high98.3Very high0 Ų038 Ų380%021%0.207CC..EExtended strand (participates in β ladder)trans-91.3120.2164.2-177163.9-46.200108.9L61 L148 I149 E150 H210 Q212L61-Q184 VanDerWaalsContact CD2-OE1 3.31Å; L148-Q184 HydrophobicContact CB-CB 4.18Å; L148-Q184 HydrophobicContact CD1-CB 4.36Å; I149-Q184 PolarHBondContact O-N 2.85Å; E150-Q184 HydrophobicContact CB-CB 3.95Å; E150-Q184 HydrophobicContact CB-CG 4.25Å; E150-Q184 VanDerWaalsContact CD-NE2 3.3Å; E150-Q184 HydrophobicContact CG-CB 4.09Å; E150-Q184 HydrophobicContact CG-CG 3.97Å; E150-Q184 PolarHBondContact OE2-NE2 2.85Å; E150-Q184 VanDerWaalsContact OE2-NE2 3.11Å; Q184-H210 HydrophobicContact CG-CB 4.24Å; Q184-Q212 VanDerWaalsContact NE2-CD 3.27Å
185M98.8Very high98.2Very high1 Ų130.8 Ų30.81%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-97.591.1177.7179.3178.374.100109.5I187 W190 M201 I208 H210 V211 Q212 L237M185-I187 HydrophobicContact CE-CD1 4.29Å; M185-I187 HydrophobicContact CE-CG1 4.17Å; M185-I187 HydrophobicContact CG-CG1 4.35Å; M185-I187 PolarHBondContact O-N 3.41Å; M185-W190 HydrophobicContact CB-CH2 3.94Å; M185-W190 HydrophobicContact CB-CZ2 3.65Å; M185-W190 HydrophobicContact CG-CD2 3.8Å; M185-W190 HydrophobicContact CG-CE3 3.82Å; M185-W190 HydrophobicContact CG-CH2 3.59Å; M185-W190 HydrophobicContact CG-CZ2 3.54Å; M185-W190 HydrophobicContact CG-CZ3 3.73Å; M185-W190 HydrophobicContact SD-CE3 3.91Å; M185-W190 HydrophobicContact SD-CH2 3.7Å; M185-W190 HydrophobicContact SD-CZ2 4.29Å; M185-W190 HydrophobicContact SD-CZ3 3.48Å; M185-W190 WeakPolarHBondContact SD-CZ3 3.23Å; M185-M201 HydrophobicContact CE-CE 4.3Å; M185-M201 HydrophobicContact CE-CG 4.12Å; M185-M201 HydrophobicContact SD-CG 3.73Å; M185-I208 HydrophobicContact CB-CD1 3.94Å; M185-I208 HydrophobicContact CB-CG1 4.25Å; M185-I208 HydrophobicContact CB-CG2 4.38Å; M185-I208 HydrophobicContact CE-CD1 4Å; M185-I208 HydrophobicContact CG-CD1 4.32Å; M185-I208 HydrophobicContact SD-CD1 3.53Å; M185-I208 VanDerWaalsContact SD-CD1 3.53Å; M185-H210 PolarHBondContact N-O 3.42Å; M185-V211 HydrophobicContact CB-CG2 4.49Å; M185-V211 HydrophobicContact CE-CB 4.34Å; M185-V211 HydrophobicContact CE-CG1 3.84Å; M185-V211 HydrophobicContact CE-CG2 3.59Å; M185-V211 CarbonylContact O-C 3.59Å; M185-V211 VanDerWaalsContact O-CA 3.29Å; M185-V211 WeakPolarHBondContact O-CA 3.35Å; M185-Q212 PolarHBondContact O-N 3.45Å; M185-L237 HydrophobicContact CE-CD2 3.9Å
186D98.8Very high98.2Very high0 Ų030.4 Ų30.40%018%0.179CC..EExtended strand (participates in β ladder)trans-80.9110.3160-174.4-10.6000109.1E150 F188 H189 W190 Q212 R219E150-D186 WeakPolarHBondContact OE1-CB 3.35Å; D186-F188 PolarHBondContact O-N 3.28Å; D186-F188 VanDerWaalsContact OD1-CB 3.26Å; D186-F188 WeakPolarHBondContact OD1-CB 3.43Å; D186-F188 PolarHBondContact OD1-N 3.24Å; D186-H189 HydrophobicContact CB-CB 4.26Å; D186-H189 PolarHBondContact O-N 3Å; D186-H189 IonicContact OD2-CD2 2.88Å; D186-H189 PolarHBondContact OD2-CD2 3.03Å; D186-H189 VanDerWaalsContact OD2-CD2 3.29Å; D186-H189 IonicContact OD2-CE1 3Å; D186-H189 IonicContact OD2-CG 3.16Å; D186-H189 IonicContact OD2-NE2 3.99Å; D186-H189 PolarHBondContact OD2-NE2 2.9Å; D186-W190 PolarHBondContact O-N 3.42Å; D186-Q212 HydrophobicContact CB-CB 4.04Å; D186-R219 IonicContact OD2-NH2 3.66Å; D186-R219 PolarHBondContact OD2-NH2 2.96Å
187I98.8Very high98.1Very high2 Ų230.7 Ų30.71%0.0118%0.18CC..Hα-helixtrans-60.6-33.9-179.9-66.3-173.6000111.4M185 W190 Q191 L197 V211 Q212 I213 L228 Y230 L233M185-I187 HydrophobicContact CE-CD1 4.29Å; M185-I187 HydrophobicContact CE-CG1 4.17Å; M185-I187 HydrophobicContact CG-CG1 4.35Å; M185-I187 PolarHBondContact O-N 3.41Å; I187-W190 PolarHBondContact O-N 3.39Å; I187-Q191 WeakPolarHBondContact O-CB 3.23Å; I187-Q191 PolarHBondContact O-N 3.03Å; I187-L197 HydrophobicContact CG2-CD1 3.83Å; I187-L197 HydrophobicContact CG2-CD2 4.33Å; I187-V211 HydrophobicContact CD1-CG1 4.5Å; I187-Q212 PolarHBondContact N-O 3.23Å; I187-I213 HydrophobicContact CD1-CG2 4Å; I187-I213 HydrophobicContact CG1-CG2 4.46Å; I187-L228 HydrophobicContact CG2-CD1 3.8Å; I187-Y230 HydrophobicContact CD1-CE1 4.35Å; I187-Y230 HydrophobicContact CG2-CE1 4.33Å; I187-L233 HydrophobicContact CD1-CD1 4.44Å; I187-L233 HydrophobicContact CG2-CD1 4.01Å
188F98.8Very high98.1Very high4 Ų429.9 Ų29.92%0.01816%0.164CC..Hα-helixtrans-61.4-46.9177.8170.4-100.3000110.6I156 D186 I192 A214 Q215 V216 R219I156-F188 HydrophobicContact CD1-CE1 4.44Å; I156-F188 HydrophobicContact CD1-CE2 4.3Å; I156-F188 HydrophobicContact CD1-CZ 3.62Å; I156-F188 HydrophobicContact CG1-CZ 4.35Å; D186-F188 PolarHBondContact O-N 3.28Å; D186-F188 VanDerWaalsContact OD1-CB 3.26Å; D186-F188 WeakPolarHBondContact OD1-CB 3.43Å; D186-F188 PolarHBondContact OD1-N 3.24Å; F188-I192 HydrophobicContact CD1-CD1 4.1Å; F188-I192 HydrophobicContact CD2-CD1 4.03Å; F188-I192 HydrophobicContact CE1-CD1 3.73Å; F188-I192 HydrophobicContact CE2-CD1 3.66Å; F188-I192 HydrophobicContact CG-CD1 4.22Å; F188-I192 HydrophobicContact CZ-CD1 3.51Å; F188-I192 WeakPolarHBondContact O-CD1 3.31Å; F188-I192 WeakPolarHBondContact O-CG1 3.32Å; F188-I192 PolarHBondContact O-N 3.04Å; F188-A214 HydrophobicContact CB-CB 4.06Å; F188-A214 HydrophobicContact CD2-CB 4.32Å; F188-A214 HydrophobicContact CG-CB 4.32Å; F188-Q215 WeakPolarHBondContact CD2-O 3.4Å; F188-V216 HydrophobicContact CB-CG2 4.44Å; F188-V216 HydrophobicContact CD2-CG2 3.54Å; F188-V216 HydrophobicContact CE2-CG2 4.22Å; F188-V216 HydrophobicContact CG-CG2 4.32Å; F188-R219 HydrophobicContact CD1-CG 3.99Å; F188-R219 HydrophobicContact CD2-CB 4.11Å; F188-R219 HydrophobicContact CD2-CG 3.93Å; F188-R219 HydrophobicContact CE1-CB 4.26Å; F188-R219 HydrophobicContact CE1-CG 3.83Å; F188-R219 HydrophobicContact CE2-CB 3.52Å; F188-R219 HydrophobicContact CE2-CG 3.75Å; F188-R219 HydrophobicContact CG-CG 4.06Å; F188-R219 HydrophobicContact CZ-CB 3.61Å; F188-R219 HydrophobicContact CZ-CG 3.69Å
189H98.8Very high98.1Very high3 Ų332.1 Ų32.11%0.01417%0.173CC..Hα-helixtrans-65.6-43.8177.4-67.1-23.8000112.8E150 P151 I152 N153 T157 D186 Q191 I192 M193 R219E150-H189 IonicContact OE1-CD2 3.2Å; E150-H189 PolarHBondContact OE1-CD2 3.33Å; E150-H189 IonicContact OE1-NE2 3.36Å; P151-H189 WeakPolarHBondContact O-CB 3.4Å; P151-H189 PolarHBondContact O-CD2 3.46Å; I152-H189 VanDerWaalsContact CD1-CD2 3.46Å; I152-H189 WeakPolarHBondContact CD1-CD2 3.45Å; I152-H189 VanDerWaalsContact CD1-NE2 3.34Å; I152-H189 WeakPolarHBondContact CD1-NE2 3.39Å; N153-H189 PolarHBondContact ND2-CE1 3.31Å; N153-H189 PolarHBondContact ND2-ND1 3.21Å; T157-H189 PolarHBondContact OG1-CE1 3.22Å; D186-H189 HydrophobicContact CB-CB 4.26Å; D186-H189 PolarHBondContact O-N 3Å; D186-H189 IonicContact OD2-CD2 2.88Å; D186-H189 PolarHBondContact OD2-CD2 3.03Å; D186-H189 VanDerWaalsContact OD2-CD2 3.29Å; D186-H189 IonicContact OD2-CE1 3Å; D186-H189 IonicContact OD2-CG 3.16Å; D186-H189 IonicContact OD2-NE2 3.99Å; D186-H189 PolarHBondContact OD2-NE2 2.9Å; H189-Q191 PolarHBondContact O-N 3.1Å; H189-I192 PolarHBondContact O-N 2.91Å; H189-M193 PolarHBondContact O-N 3.49Å; H189-M193 VanDerWaalsContact O-N 3.16Å; H189-R219 PolarHBondContact CE1-NH2 2.91Å; H189-R219 VanDerWaalsContact CE1-NH2 3.3Å; H189-R219 PolarHBondContact NE2-NH2 3.18Å
190W98.3Very high98.1Very high1 Ų127.3 Ų27.30%0.00414%0.139CC..Hα-helixtrans-65.4-40.3-179-74.230.1000112.1P166 L183 M185 D186 I187 I192 M193 D194 G195 L197 N200 Y204 I208P166-W190 HydrophobicContact CB-CD2 4.11Å; P166-W190 HydrophobicContact CB-CE3 4.41Å; P166-W190 HydrophobicContact CB-CH2 3.99Å; P166-W190 HydrophobicContact CB-CZ2 3.65Å; P166-W190 HydrophobicContact CB-CZ3 4.36Å; P166-W190 HydrophobicContact CG-CD2 3.94Å; P166-W190 HydrophobicContact CG-CE3 4.28Å; P166-W190 HydrophobicContact CG-CG 4.32Å; P166-W190 HydrophobicContact CG-CZ2 4.39Å; L183-W190 HydrophobicContact CD2-CH2 3.95Å; L183-W190 HydrophobicContact CD2-CZ2 3.63Å; L183-W190 HydrophobicContact CG-CZ2 4.03Å; M185-W190 HydrophobicContact CB-CH2 3.94Å; M185-W190 HydrophobicContact CB-CZ2 3.65Å; M185-W190 HydrophobicContact CG-CD2 3.8Å; M185-W190 HydrophobicContact CG-CE3 3.82Å; M185-W190 HydrophobicContact CG-CH2 3.59Å; M185-W190 HydrophobicContact CG-CZ2 3.54Å; M185-W190 HydrophobicContact CG-CZ3 3.73Å; M185-W190 HydrophobicContact SD-CE3 3.91Å; M185-W190 HydrophobicContact SD-CH2 3.7Å; M185-W190 HydrophobicContact SD-CZ2 4.29Å; M185-W190 HydrophobicContact SD-CZ3 3.48Å; M185-W190 WeakPolarHBondContact SD-CZ3 3.23Å; D186-W190 PolarHBondContact O-N 3.42Å; I187-W190 PolarHBondContact O-N 3.39Å; W190-I192 VanDerWaalsContact C-N 3.35Å; W190-I192 PolarHBondContact O-N 2.81Å; W190-M193 PolarHBondContact O-N 3.49Å; W190-D194 PolarHBondContact O-N 3.26Å; W190-G195 PolarHBondContact O-N 2.97Å; W190-L197 HydrophobicContact CB-CD2 3.84Å; W190-N200 HydrophobicContact CE3-CB 4.09Å; W190-N200 HydrophobicContact CZ3-CB 4.02Å; W190-Y204 AromaticContact CH2-CD2 3.89Å; W190-Y204 HydrophobicContact CH2-CD2 3.89Å; W190-Y204 HydrophobicContact CH2-CG 4.25Å; W190-Y204 AromaticContact CZ3-CD2 3.95Å; W190-Y204 HydrophobicContact CZ3-CD2 3.95Å; W190-I208 HydrophobicContact CH2-CD1 4.29Å
191Q98.6Very high98.1Very high44 Ų4425.9 Ų25.921%0.20613%0.131CC..Hα-helixtrans-62-44.2178.8176.959.715.700111.7I187 H189 G195 L197 V216 E227 L228I187-Q191 WeakPolarHBondContact O-CB 3.23Å; I187-Q191 PolarHBondContact O-N 3.03Å; H189-Q191 PolarHBondContact O-N 3.1Å; Q191-G195 PolarHBondContact O-N 3.09Å; Q191-L197 HydrophobicContact CB-CD1 4.27Å; Q191-L197 HydrophobicContact CB-CD2 4.35Å; Q191-V216 HydrophobicContact CB-CG2 3.95Å; Q191-V216 HydrophobicContact CG-CB 4.23Å; Q191-V216 HydrophobicContact CG-CG1 4.06Å; Q191-V216 HydrophobicContact CG-CG2 3.95Å; Q191-E227 WeakPolarHBondContact CG-OE1 3.46Å; Q191-E227 PolarHBondContact NE2-OE1 3.18Å; Q191-L228 HydrophobicContact CB-CD1 4.22Å; Q191-L228 HydrophobicContact CB-CD2 4.3Å; Q191-L228 HydrophobicContact CG-CD1 4.26Å; Q191-L228 HydrophobicContact CG-CD2 3.72Å; Q191-L228 HydrophobicContact CG-CG 4.22Å
192I98.3Very high98.1Very high22 Ų2230.7 Ų30.711%0.11315%0.153CC..Hα-helixtrans-67.6-39.6-177.2-68.9163000111.8N153 R155 I156 F188 H189 W190 V216N153-I192 HydrophobicContact CB-CB 4.08Å; N153-I192 HydrophobicContact CB-CG2 3.81Å; R155-I192 HydrophobicContact CB-CG2 3.76Å; R155-I192 WeakPolarHBondContact CD-O 3.34Å; R155-I192 HydrophobicContact CG-CG2 4.01Å; R155-I192 PolarHBondContact NE-O 3.19Å; R155-I192 VanDerWaalsContact NE-O 3.15Å; I156-I192 HydrophobicContact CD1-CD1 3.52Å; I156-I192 HydrophobicContact CG1-CD1 3.85Å; F188-I192 HydrophobicContact CD1-CD1 4.1Å; F188-I192 HydrophobicContact CD2-CD1 4.03Å; F188-I192 HydrophobicContact CE1-CD1 3.73Å; F188-I192 HydrophobicContact CE2-CD1 3.66Å; F188-I192 HydrophobicContact CG-CD1 4.22Å; F188-I192 HydrophobicContact CZ-CD1 3.51Å; F188-I192 WeakPolarHBondContact O-CD1 3.31Å; F188-I192 WeakPolarHBondContact O-CG1 3.32Å; F188-I192 PolarHBondContact O-N 3.04Å; H189-I192 PolarHBondContact O-N 2.91Å; W190-I192 VanDerWaalsContact C-N 3.35Å; W190-I192 PolarHBondContact O-N 2.81Å; I192-V216 HydrophobicContact CG1-CG1 4.03Å; I192-V216 HydrophobicContact CG1-CG2 4.47Å
193M97.3Very high98Very high33 Ų3334.1 Ų34.116%0.16317%0.168CC..Hα-helixtrans-85.3-52.6-175.7-68.6-57.5-6400112.8N153 T154 R155 D164 H189 W190N153-M193 HydrophobicContact CB-CG 3.47Å; N153-M193 VanDerWaalsContact CB-CG 3.47Å; N153-M193 HydrophobicContact CB-SD 3.82Å; T154-M193 PolarHBondContact N-SD 2.79Å; T154-M193 WeakPolarHBondContact OG1-CE 3.4Å; R155-M193 HydrophobicContact CG-SD 3.86Å; R155-M193 PolarHBondContact NH2-O 3.02Å; D164-M193 HydrophobicContact CB-CE 4.32Å; D164-M193 WeakPolarHBondContact O-CG 3.3Å; H189-M193 PolarHBondContact O-N 3.49Å; H189-M193 VanDerWaalsContact O-N 3.16Å; W190-M193 PolarHBondContact O-N 3.49Å
194D93.8Very high98Very high58 Ų5834.6 Ų34.631%0.3117%0.169SC..THydrogen-bonded Turntrans-120.3-25-163.9-73.2-8.8000113.5P166 H167 W190P166-D194 WeakPolarHBondContact CD-OD2 3.01Å; P166-D194 WeakPolarHBondContact CG-OD2 3.28Å; H167-D194 IonicContact CD2-OD2 3.27Å; H167-D194 PolarHBondContact CD2-OD2 2.84Å; H167-D194 VanDerWaalsContact CD2-OD2 3.31Å; H167-D194 IonicContact NE2-OD2 3.12Å; W190-D194 PolarHBondContact O-N 3.26Å
195G96.4Very high98Very high12 Ų1237.1 Ų37.112%0.12418%0.18CC..  trans55.1-142.1-173.300000112.1W190 Q191 L197 N200W190-G195 PolarHBondContact O-N 2.97Å; Q191-G195 PolarHBondContact O-N 3.09Å; G195-L197 PolarHBondContact O-N 3.46Å; G195-N200 PolarHBondContact O-ND2 3.3Å
196N97.4Very high98Very high90 Ų9042.2 Ų42.248%0.48121%0.214SC..  trans49.737.3174.5-170.833.6000112.9T198 K199 N200N196-T198 PolarHBondContact O-N 3.29Å; N196-K199 PolarHBondContact O-N 3.49Å; N196-K199 VanDerWaalsContact O-N 3.15Å; N196-K199 WeakPolarHBondContact OD1-CB 3.5Å; N196-K199 WeakPolarHBondContact OD1-CD 3.34Å; N196-K199 WeakPolarHBondContact OD1-CG 3.45Å; N196-N200 PolarHBondContact O-N 3.16Å
197L98.3Very high97.9Very high12 Ų1244.9 Ų44.96%0.06323%0.227CC..Hα-helixtrans-55.1-48.1-164-67.2176.4000112.6I187 W190 Q191 G195 K199 N200 M201 L228 L233I187-L197 HydrophobicContact CG2-CD1 3.83Å; I187-L197 HydrophobicContact CG2-CD2 4.33Å; W190-L197 HydrophobicContact CB-CD2 3.84Å; Q191-L197 HydrophobicContact CB-CD1 4.27Å; Q191-L197 HydrophobicContact CB-CD2 4.35Å; G195-L197 PolarHBondContact O-N 3.46Å; L197-K199 PolarHBondContact O-N 2.85Å; L197-N200 PolarHBondContact O-N 3.23Å; L197-M201 WeakPolarHBondContact O-CB 3.38Å; L197-M201 WeakPolarHBondContact O-CG 3.38Å; L197-M201 PolarHBondContact O-N 3.24Å; L197-L228 HydrophobicContact CD1-CD1 4.35Å; L197-L228 HydrophobicContact CD1-CD2 3.55Å; L197-L233 HydrophobicContact CB-CD2 4.12Å; L197-L233 HydrophobicContact CD1-CD1 3.99Å; L197-L233 HydrophobicContact CD1-CD2 4.09Å
198T98.3Very high97.9Very high44 Ų4445.7 Ų45.727%0.2723%0.231SC..Hα-helixtrans-54.3-51.8179.9-51.30000111.8N196 N200 M201 H202 Y232N196-T198 PolarHBondContact O-N 3.29Å; T198-N200 PolarHBondContact O-N 3.4Å; T198-M201 PolarHBondContact O-N 3.45Å; T198-H202 PolarHBondContact O-CD2 2.81Å; T198-H202 PolarHBondContact O-N 3.48Å; T198-Y232 VanDerWaalsContact CG2-OH 3.3Å; T198-Y232 WeakPolarHBondContact CG2-OH 3.41Å; T198-Y232 VanDerWaalsContact OG1-CE1 3.29Å; T198-Y232 WeakPolarHBondContact OG1-CE1 3.31Å; T198-Y232 PolarHBondContact OG1-OH 3.2Å; T198-Y232 VanDerWaalsContact OG1-OH 3.04Å
199K98.1Very high97.9Very high147 Ų14745.9 Ų45.964%0.63923%0.234SC*.Hα-helixtrans-66.6-40.1-178.3-66.5-170.1-177.8175.40111.4N196 L197 H202 K203N196-K199 PolarHBondContact O-N 3.49Å; N196-K199 VanDerWaalsContact O-N 3.15Å; N196-K199 WeakPolarHBondContact OD1-CB 3.5Å; N196-K199 WeakPolarHBondContact OD1-CD 3.34Å; N196-K199 WeakPolarHBondContact OD1-CG 3.45Å; L197-K199 PolarHBondContact O-N 2.85Å; K199-H202 PolarHBondContact O-N 3.37Å; K199-K203 VanDerWaalsContact O-CB 3.3Å; K199-K203 WeakPolarHBondContact O-CB 3.34Å; K199-K203 PolarHBondContact O-N 3.18Å
200N97.7Very high97.9Very high8 Ų845.7 Ų45.74%0.04323%0.234CC..Hα-helixtrans-66.8-41.3178.9-75.7-17.6000111.8W190 G195 N196 L197 T198 K203 Y204W190-N200 HydrophobicContact CE3-CB 4.09Å; W190-N200 HydrophobicContact CZ3-CB 4.02Å; G195-N200 PolarHBondContact O-ND2 3.3Å; N196-N200 PolarHBondContact O-N 3.16Å; L197-N200 PolarHBondContact O-N 3.23Å; T198-N200 PolarHBondContact O-N 3.4Å; N200-K203 PolarHBondContact O-N 2.94Å; N200-Y204 HydrophobicContact CB-CD2 4.19Å; N200-Y204 HydrophobicContact CB-CE2 4.3Å; N200-Y204 WeakPolarHBondContact O-CB 3.47Å; N200-Y204 WeakPolarHBondContact O-CD2 3.14Å; N200-Y204 PolarHBondContact O-N 3.15Å
201M98.1Very high97.9Very high1 Ų145.7 Ų45.71%0.00523%0.234CC..Hα-helixtrans-57.1-51.3172.3-71.4169.275.700110.4M185 L197 T198 K203 F205 L233 T236 L237 L240M185-M201 HydrophobicContact CE-CE 4.3Å; M185-M201 HydrophobicContact CE-CG 4.12Å; M185-M201 HydrophobicContact SD-CG 3.73Å; L197-M201 WeakPolarHBondContact O-CB 3.38Å; L197-M201 WeakPolarHBondContact O-CG 3.38Å; L197-M201 PolarHBondContact O-N 3.24Å; T198-M201 PolarHBondContact O-N 3.45Å; M201-K203 VanDerWaalsContact C-N 3.35Å; M201-K203 PolarHBondContact O-N 3.31Å; M201-F205 WeakPolarHBondContact O-CA 3.5Å; M201-F205 WeakPolarHBondContact O-CB 3.32Å; M201-F205 PolarHBondContact O-N 3.27Å; M201-L233 HydrophobicContact SD-CD2 4Å; M201-T236 HydrophobicContact CE-CG2 3.89Å; M201-T236 HydrophobicContact SD-CG2 4.3Å; M201-L237 HydrophobicContact CE-CD1 4.36Å; M201-L237 HydrophobicContact CE-CD2 3.47Å; M201-L237 VanDerWaalsContact CE-CD2 3.47Å; M201-L237 HydrophobicContact CE-CG 3.49Å; M201-L237 VanDerWaalsContact CE-CG 3.49Å; M201-L240 HydrophobicContact CB-CD1 4.25Å
202H98.3Very high97.9Very high108 Ų10843.8 Ų43.850%0.523%0.225SC..Hα-helixtrans-59.7-43.2176.8-82.9-78.2000113T198 K199 L240T198-H202 PolarHBondContact O-CD2 2.81Å; T198-H202 PolarHBondContact O-N 3.48Å; K199-H202 PolarHBondContact O-N 3.37Å; H202-L240 WeakPolarHBondContact ND1-CD2 3.09Å
203K98.1Very high98Very high127 Ų12742.7 Ų42.755%0.55222%0.219SC*.Hα-helixtrans-66.4-46-177.4179.9-179176.5-166.90112.2K199 N200 M201K199-K203 VanDerWaalsContact O-CB 3.3Å; K199-K203 WeakPolarHBondContact O-CB 3.34Å; K199-K203 PolarHBondContact O-N 3.18Å; N200-K203 PolarHBondContact O-N 2.94Å; M201-K203 VanDerWaalsContact C-N 3.35Å; M201-K203 PolarHBondContact O-N 3.31Å
204Y98.4Very high98Very high9 Ų941.1 Ų41.14%0.03521%0.212CC..Hα-helixtrans-96-7.2-172.3-61.1-58.8000113.6P166 H167 A170 L183 W190 N200 P206 I207 I208P166-Y204 HydrophobicContact CB-CD2 3.92Å; P166-Y204 HydrophobicContact CB-CE2 3.71Å; P166-Y204 HydrophobicContact CG-CE2 4.18Å; H167-Y204 PolarHBondContact CE1-OH 3.43Å; H167-Y204 PolarHBondContact ND1-OH 2.8Å; H167-Y204 PolarHBondContact NE2-OH 2.8Å; A170-Y204 HydrophobicContact CB-CD1 4Å; A170-Y204 HydrophobicContact CB-CE1 3.6Å; L183-Y204 HydrophobicContact CD2-CG 4.41Å; W190-Y204 AromaticContact CH2-CD2 3.89Å; W190-Y204 HydrophobicContact CH2-CD2 3.89Å; W190-Y204 HydrophobicContact CH2-CG 4.25Å; W190-Y204 AromaticContact CZ3-CD2 3.95Å; W190-Y204 HydrophobicContact CZ3-CD2 3.95Å; N200-Y204 HydrophobicContact CB-CD2 4.19Å; N200-Y204 HydrophobicContact CB-CE2 4.3Å; N200-Y204 WeakPolarHBondContact O-CB 3.47Å; N200-Y204 WeakPolarHBondContact O-CD2 3.14Å; N200-Y204 PolarHBondContact O-N 3.15Å; Y204-P206 VanDerWaalsContact C-N 3.28Å; Y204-P206 VanDerWaalsContact O-N 3.08Å; Y204-I207 HydrophobicContact CD1-CD1 4.08Å; Y204-I207 WeakPolarHBondContact O-CG1 3.39Å; Y204-I207 PolarHBondContact O-N 2.81Å; Y204-I208 WeakPolarHBondContact O-CG1 3.44Å; Y204-I208 PolarHBondContact O-N 3.36Å
205F98.4Very high98.3Very high53 Ų5338.6 Ų38.623%0.23220%0.198CC..G310 helixtrans-43.7-43.9178.3-171.6-108.5000115M201 I207 I208 L240 Y242M201-F205 WeakPolarHBondContact O-CA 3.5Å; M201-F205 WeakPolarHBondContact O-CB 3.32Å; M201-F205 PolarHBondContact O-N 3.27Å; F205-I207 PolarHBondContact O-N 2.88Å; F205-I207 VanDerWaalsContact O-N 3.08Å; F205-I208 PolarHBondContact O-N 3.21Å; F205-L240 HydrophobicContact CB-CD1 4.4Å; F205-L240 HydrophobicContact CB-CD2 4.42Å; F205-L240 HydrophobicContact CD1-CB 4.34Å; F205-L240 HydrophobicContact CD1-CD2 4.36Å; F205-L240 HydrophobicContact CD2-CB 3.86Å; F205-L240 HydrophobicContact CD2-CD1 3.86Å; F205-L240 HydrophobicContact CD2-CG 4.32Å; F205-L240 HydrophobicContact CE1-CB 4.15Å; F205-L240 WeakPolarHBondContact CE1-O 3.26Å; F205-L240 HydrophobicContact CE2-CB 3.65Å; F205-L240 HydrophobicContact CE2-CD1 4.42Å; F205-L240 HydrophobicContact CG-CB 4.2Å; F205-L240 HydrophobicContact CG-CD1 4.2Å; F205-L240 HydrophobicContact CG-CD2 4.2Å; F205-L240 HydrophobicContact CG-CG 4.45Å; F205-L240 HydrophobicContact CZ-CB 3.81Å; F205-L240 WeakPolarHBondContact CZ-O 3.37Å; F205-Y242 HydrophobicContact CE2-CD2 4.06Å; F205-Y242 HydrophobicContact CE2-CG 4.48Å
206P98.1Very high98.4Very high109 Ų10938.2 Ų38.271%0.70819%0.193SC*.G310 helixtrans-62.2-19.4-178.1-24.336.1000115.3Y204Y204-P206 VanDerWaalsContact C-N 3.28Å; Y204-P206 VanDerWaalsContact O-N 3.08Å
207I98.3Very high98.3Very high56 Ų5638 Ų3829%0.28720%0.197SC..G310 helixtrans-111.11.2-178.362.4170.2000112.9A170 L173 Q182 L183 Y204 F205 G209A170-I207 HydrophobicContact CB-CD1 3.92Å; L173-I207 HydrophobicContact CD1-CD1 4.01Å; Q182-I207 WeakPolarHBondContact CB-O 3.29Å; L183-I207 HydrophobicContact CB-CD1 4.35Å; L183-I207 HydrophobicContact CB-CG1 4.22Å; L183-I207 WeakPolarHBondContact CB-O 3.16Å; L183-I207 HydrophobicContact CD2-CD1 3.98Å; L183-I207 HydrophobicContact CD2-CG1 4.24Å; L183-I207 PolarHBondContact N-O 2.8Å; Y204-I207 HydrophobicContact CD1-CD1 4.08Å; Y204-I207 WeakPolarHBondContact O-CG1 3.39Å; Y204-I207 PolarHBondContact O-N 2.81Å; F205-I207 PolarHBondContact O-N 2.88Å; F205-I207 VanDerWaalsContact O-N 3.08Å; I207-G209 PolarHBondContact O-N 2.65Å
208I98.6Very high98.3Very high18 Ų1839.5 Ų39.59%0.09222%0.215CC..EExtended strand (participates in β ladder)trans-76.8122.5179.5-70.1174.1000110L183 M185 W190 Y204 F205 H210 V211 Y242L183-I208 CarbonylContact O-C 3.54Å; L183-I208 WeakPolarHBondContact O-CA 3.35Å; M185-I208 HydrophobicContact CB-CD1 3.94Å; M185-I208 HydrophobicContact CB-CG1 4.25Å; M185-I208 HydrophobicContact CB-CG2 4.38Å; M185-I208 HydrophobicContact CE-CD1 4Å; M185-I208 HydrophobicContact CG-CD1 4.32Å; M185-I208 HydrophobicContact SD-CD1 3.53Å; M185-I208 VanDerWaalsContact SD-CD1 3.53Å; W190-I208 HydrophobicContact CH2-CD1 4.29Å; Y204-I208 WeakPolarHBondContact O-CG1 3.44Å; Y204-I208 PolarHBondContact O-N 3.36Å; F205-I208 PolarHBondContact O-N 3.21Å; I208-H210 WeakPolarHBondContact CG2-O 3.5Å; I208-V211 HydrophobicContact CG2-CG2 3.84Å; I208-Y242 HydrophobicContact CG2-CE2 4.16Å
209G98.3Very high98.3Very high8 Ų838.7 Ų38.78%0.08221%0.207CC..EExtended strand (participates in β ladder)trans-103.4-19175.300000114.5R104 L183 I207R104-G209 PolarHBondContact NE-O 3.27Å; L183-G209 PolarHBondContact O-N 3.24Å; I207-G209 PolarHBondContact O-N 2.65Å
210H98.9Very high98.3Very high0 Ų033 Ų330%018%0.184CC..EExtended strand (participates in β ladder)trans-157.2154.4178.2-164.960.2000111.5E36 L61 L148 Q184 M185 I208 Y242 Y245E36-H210 IonicContact OE2-CD2 2.82Å; E36-H210 IonicContact OE2-CE1 3.41Å; E36-H210 PolarHBondContact OE2-CE1 3.41Å; E36-H210 IonicContact OE2-NE2 2.88Å; E36-H210 PolarHBondContact OE2-NE2 2.98Å; L61-H210 VanDerWaalsContact CD2-CD2 3.49Å; L61-H210 WeakPolarHBondContact CD2-CD2 3.15Å; L148-H210 HydrophobicContact CD1-CB 3.49Å; L148-H210 VanDerWaalsContact CD1-CB 3.49Å; L148-H210 HydrophobicContact CD2-CB 4.45Å; Q184-H210 HydrophobicContact CG-CB 4.24Å; M185-H210 PolarHBondContact N-O 3.42Å; I208-H210 WeakPolarHBondContact CG2-O 3.5Å; H210-Y242 WeakPolarHBondContact CA-OH 3.39Å; H210-Y245 PolarHBondContact CE1-O 3.35Å; H210-Y245 PolarHBondContact ND1-O 2.98Å
211V98.9Very high98.3Very high0 Ų033.1 Ų33.10%018%0.184CC..EExtended strand (participates in β ladder)trans-128.2140.1179.1174.50000108.8M185 I187 I208 I213 L237 Y242 I246 G247M185-V211 HydrophobicContact CB-CG2 4.49Å; M185-V211 HydrophobicContact CE-CB 4.34Å; M185-V211 HydrophobicContact CE-CG1 3.84Å; M185-V211 HydrophobicContact CE-CG2 3.59Å; M185-V211 CarbonylContact O-C 3.59Å; M185-V211 VanDerWaalsContact O-CA 3.29Å; M185-V211 WeakPolarHBondContact O-CA 3.35Å; I187-V211 HydrophobicContact CD1-CG1 4.5Å; I208-V211 HydrophobicContact CG2-CG2 3.84Å; V211-I213 HydrophobicContact CG1-CG2 4.35Å; V211-L237 HydrophobicContact CG1-CD1 4.06Å; V211-L237 HydrophobicContact CG2-CD2 4.4Å; V211-Y242 HydrophobicContact CB-CE1 4.17Å; V211-Y242 HydrophobicContact CG2-CD1 4.46Å; V211-Y242 HydrophobicContact CG2-CD2 4.39Å; V211-Y242 HydrophobicContact CG2-CE1 3.9Å; V211-Y242 HydrophobicContact CG2-CE2 3.84Å; V211-Y242 PolarHBondContact N-OH 3.02Å; V211-I246 HydrophobicContact CB-CG1 4.25Å; V211-I246 HydrophobicContact CG1-CG1 4.28Å; V211-I246 HydrophobicContact CG1-CG2 4.12Å; V211-I246 CarbonylContact O-C 3.45Å; V211-I246 WeakPolarHBondContact O-CA 3.39Å; V211-G247 PolarHBondContact O-N 3.1Å
212Q98.9Very high98.3Very high4 Ų433.4 Ų33.42%0.01919%0.186CC..EExtended strand (participates in β ladder)trans-129155.1169.4-71.5168.4-50.300110.8E36 E150 Q184 M185 D186 I187 G247 E249E36-Q212 PolarHBondContact OE1-NE2 3.26Å; E150-Q212 PolarHBondContact OE1-OE1 2.78Å; Q184-Q212 VanDerWaalsContact NE2-CD 3.27Å; M185-Q212 PolarHBondContact O-N 3.45Å; D186-Q212 HydrophobicContact CB-CB 4.04Å; I187-Q212 PolarHBondContact N-O 3.23Å; Q212-G247 VanDerWaalsContact CA-O 3.31Å; Q212-G247 WeakPolarHBondContact CA-O 3.12Å; Q212-E249 HydrophobicContact CB-CB 4.41Å; Q212-E249 HydrophobicContact CG-CB 4.45Å; Q212-E249 PolarHBondContact NE2-OE2 3.12Å; Q212-E249 PolarHBondContact OE1-OE2 3.2Å
213I98.9Very high98.2Very high0 Ų032.7 Ų32.70%019%0.186CC..EExtended strand (participates in β ladder)trans-137.7140.2-175.763.8175.3000112.2F6 I187 V211 P222 Y230 I246 G247 E249 W262F6-I213 HydrophobicContact CE1-CD1 4.16Å; I187-I213 HydrophobicContact CD1-CG2 4Å; I187-I213 HydrophobicContact CG1-CG2 4.46Å; V211-I213 HydrophobicContact CG1-CG2 4.35Å; I213-P222 HydrophobicContact CD1-CB 4.42Å; I213-P222 HydrophobicContact CD1-CG 3.63Å; I213-P222 HydrophobicContact CG1-CG 4.02Å; I213-Y230 HydrophobicContact CB-CD1 4.36Å; I213-Y230 HydrophobicContact CB-CE1 3.53Å; I213-Y230 HydrophobicContact CG2-CD1 4.27Å; I213-Y230 HydrophobicContact CG2-CE1 3.53Å; I213-I246 HydrophobicContact CB-CG2 4.39Å; I213-I246 HydrophobicContact CD1-CG2 3.83Å; I213-I246 HydrophobicContact CG1-CG2 3.88Å; I213-I246 HydrophobicContact CG2-CG2 3.69Å; I213-G247 PolarHBondContact N-O 3.1Å; I213-E249 PolarHBondContact O-N 3.38Å; I213-W262 HydrophobicContact CD1-CH2 3.64Å; I213-W262 HydrophobicContact CD1-CZ2 4.35Å; I213-W262 HydrophobicContact CD1-CZ3 4.05Å
214A98.8Very high98.1Very high0 Ų027.4 Ų27.40%017%0.165CC..  trans-158.9150.5165.600000110F188 R219 Y230 E249F188-A214 HydrophobicContact CB-CB 4.06Å; F188-A214 HydrophobicContact CD2-CB 4.32Å; F188-A214 HydrophobicContact CG-CB 4.32Å; A214-R219 HydrophobicContact CB-CB 4.46Å; A214-R219 HydrophobicContact CB-CG 3.65Å; A214-Y230 VanDerWaalsContact C-OH 3.24Å; A214-Y230 PolarHBondContact N-OH 2.95Å; A214-Y230 PolarHBondContact O-OH 2.74Å; A214-E249 WeakPolarHBondContact CB-O 3.27Å
215Q98.6Very high98.1Very high4 Ų434.8 Ų34.82%0.01921%0.205CC..  trans-68.2145.5178.7-172.958.2-89.700112F188 R219 N220 E221 P222 S224 L228F188-Q215 WeakPolarHBondContact CD2-O 3.4Å; Q215-R219 WeakPolarHBondContact O-CA 3.36Å; Q215-R219 PolarHBondContact O-N 3.45Å; Q215-N220 PolarHBondContact N-O 3.07Å; Q215-E221 VanDerWaalsContact CB-O 3.26Å; Q215-E221 WeakPolarHBondContact CB-O 3.24Å; Q215-P222 PolarHBondContact NE2-O 2.64Å; Q215-S224 WeakPolarHBondContact CG-OG 3.31Å; Q215-S224 PolarHBondContact NE2-O 3.28Å; Q215-L228 PolarHBondContact NE2-O 2.86Å; Q215-L228 VanDerWaalsContact NE2-O 3.11Å; Q215-L228 VanDerWaalsContact OE1-CB 3.31Å
216V98.4Very high98Very high4 Ų434.5 Ų34.52%0.02422%0.217CC..THydrogen-bonded Turntrans-106.7137177.6176.60000108.6F188 Q191 I192 G226 E227 L228F188-V216 HydrophobicContact CB-CG2 4.44Å; F188-V216 HydrophobicContact CD2-CG2 3.54Å; F188-V216 HydrophobicContact CE2-CG2 4.22Å; F188-V216 HydrophobicContact CG-CG2 4.32Å; Q191-V216 HydrophobicContact CB-CG2 3.95Å; Q191-V216 HydrophobicContact CG-CB 4.23Å; Q191-V216 HydrophobicContact CG-CG1 4.06Å; Q191-V216 HydrophobicContact CG-CG2 3.95Å; I192-V216 HydrophobicContact CG1-CG1 4.03Å; I192-V216 HydrophobicContact CG1-CG2 4.47Å; V216-G226 CarbonylContact O-C 3.57Å; V216-G226 WeakPolarHBondContact O-CA 3.36Å; V216-E227 HydrophobicContact CB-CG 3.85Å; V216-E227 VanDerWaalsContact CG1-CD 3.47Å; V216-E227 HydrophobicContact CG1-CG 3.82Å; V216-E227 PolarHBondContact O-N 3.23Å; V216-L228 HydrophobicContact CB-CD1 4.27Å; V216-L228 HydrophobicContact CB-CG 4.33Å; V216-L228 HydrophobicContact CG2-CD1 3.75Å; V216-L228 HydrophobicContact CG2-CG 4.33Å
217P96.9Very high98Very high86 Ų8634.7 Ų34.756%0.55821%0.208SC*.THydrogen-bonded Turncis-91.8-7.84.235.5-36.1000115.1R219P217-R219 VanDerWaalsContact C-N 3.3Å; P217-R219 PolarHBondContact O-N 2.92Å
218G96.8Very high98Very high44 Ų4433 Ų3345%0.45420%0.199SC..THydrogen-bonded Turntrans-72.3-14.5-167.800000116.4N220G218-N220 WeakPolarHBondContact CA-OD1 3.45Å; G218-N220 PolarHBondContact O-N 2.73Å; G218-N220 PolarHBondContact O-OD1 2.83Å
219R98.2Very high98Very high27 Ų2736 Ų3610%0.10222%0.221CC..  trans56.236.1-168.4-150.4178.1-170163.79.3112.3D186 F188 H189 A214 Q215 P217 E249 Y250 K251D186-R219 IonicContact OD2-NH2 3.66Å; D186-R219 PolarHBondContact OD2-NH2 2.96Å; F188-R219 HydrophobicContact CD1-CG 3.99Å; F188-R219 HydrophobicContact CD2-CB 4.11Å; F188-R219 HydrophobicContact CD2-CG 3.93Å; F188-R219 HydrophobicContact CE1-CB 4.26Å; F188-R219 HydrophobicContact CE1-CG 3.83Å; F188-R219 HydrophobicContact CE2-CB 3.52Å; F188-R219 HydrophobicContact CE2-CG 3.75Å; F188-R219 HydrophobicContact CG-CG 4.06Å; F188-R219 HydrophobicContact CZ-CB 3.61Å; F188-R219 HydrophobicContact CZ-CG 3.69Å; H189-R219 PolarHBondContact CE1-NH2 2.91Å; H189-R219 VanDerWaalsContact CE1-NH2 3.3Å; H189-R219 PolarHBondContact NE2-NH2 3.18Å; A214-R219 HydrophobicContact CB-CB 4.46Å; A214-R219 HydrophobicContact CB-CG 3.65Å; Q215-R219 WeakPolarHBondContact O-CA 3.36Å; Q215-R219 PolarHBondContact O-N 3.45Å; P217-R219 VanDerWaalsContact C-N 3.3Å; P217-R219 PolarHBondContact O-N 2.92Å; R219-E249 IonicContact NH2-OE2 3.55Å; R219-Y250 CarbonylContact O-C 3.56Å; R219-Y250 WeakPolarHBondContact O-CA 3.15Å; R219-Y250 WeakPolarHBondContact O-CB 3.39Å; R219-K251 PolarHBondContact O-N 2.85Å
220N98.2Very high97.9Very high27 Ų2736.1 Ų36.114%0.14422%0.219CC..  trans-99.1-172.7-179.7-63.2113.1000111.7Q215 G218 S224 Y250 K251 L253Q215-N220 PolarHBondContact N-O 3.07Å; G218-N220 WeakPolarHBondContact CA-OD1 3.45Å; G218-N220 PolarHBondContact O-N 2.73Å; G218-N220 PolarHBondContact O-OD1 2.83Å; N220-S224 WeakPolarHBondContact CB-OG 3.48Å; N220-Y250 WeakPolarHBondContact O-CB 3.47Å; N220-K251 WeakPolarHBondContact CA-O 3.47Å; N220-K251 PolarHBondContact ND2-O 2.87Å; N220-L253 HydrophobicContact CB-CD1 4.46Å; N220-L253 HydrophobicContact CB-CD2 4.4Å; N220-L253 HydrophobicContact CB-CG 4.04Å; N220-L253 WeakPolarHBondContact ND2-CD2 3.41Å
221E98.1Very high97.8Very high11 Ų1145.5 Ų45.55%0.05126%0.255CS..  trans-48.9139.4178-63.681.2169.200112.3Q215 D223 S224 Y250 P252 L253 S259Q215-E221 VanDerWaalsContact CB-O 3.26Å; Q215-E221 WeakPolarHBondContact CB-O 3.24Å; E221-D223 WeakPolarHBondContact CB-OD1 3.07Å; E221-D223 PolarHBondContact O-N 2.79Å; E221-S224 WeakPolarHBondContact O-CB 3.46Å; E221-S224 PolarHBondContact O-N 3.23Å; E221-S224 PolarHBondContact O-OG 2.96Å; E221-S224 VanDerWaalsContact O-OG 3.05Å; E221-Y250 HydrophobicContact CB-CD2 4.44Å; E221-Y250 HydrophobicContact CB-CE2 4.21Å; E221-Y250 HydrophobicContact CG-CD2 4.02Å; E221-Y250 HydrophobicContact CG-CE2 3.49Å; E221-Y250 VanDerWaalsContact CG-CE2 3.49Å; E221-P252 WeakPolarHBondContact OE1-CA 3.26Å; E221-L253 PolarHBondContact OE1-N 3.18Å; E221-L253 WeakPolarHBondContact OE2-CG 3.34Å; E221-L253 PolarHBondContact OE2-N 3.09Å; E221-S259 WeakPolarHBondContact CG-O 3.37Å; E221-S259 WeakPolarHBondContact OE1-CB 3.38Å
222P97.6Very high97.8Very high7 Ų750.8 Ų50.85%0.04528%0.276CS..THydrogen-bonded Turntrans-53.5-22.4178.1-31.437.2000116.6I213 Q215 Y230 W262I213-P222 HydrophobicContact CD1-CB 4.42Å; I213-P222 HydrophobicContact CD1-CG 3.63Å; I213-P222 HydrophobicContact CG1-CG 4.02Å; Q215-P222 PolarHBondContact NE2-O 2.64Å; P222-Y230 HydrophobicContact CB-CD1 4.32Å; P222-Y230 HydrophobicContact CB-CD2 3.6Å; P222-Y230 HydrophobicContact CB-CE2 4.09Å; P222-Y230 HydrophobicContact CB-CG 3.71Å; P222-Y230 VanDerWaalsContact O-CD2 3.24Å; P222-Y230 WeakPolarHBondContact O-CD2 3.4Å; P222-W262 HydrophobicContact CB-CD2 4.12Å; P222-W262 HydrophobicContact CB-CE3 4.27Å; P222-W262 HydrophobicContact CG-CD2 4.04Å; P222-W262 HydrophobicContact CG-CE3 4.32Å; P222-W262 HydrophobicContact CG-CH2 4.08Å; P222-W262 HydrophobicContact CG-CZ2 3.76Å; P222-W262 HydrophobicContact CG-CZ3 4.34Å
223D96.8Very high97.7Very high92 Ų9251 Ų5149%0.49228%0.277SS..THydrogen-bonded Turntrans-100.21.2176.368.2-29000114.4E221 W262E221-D223 WeakPolarHBondContact CB-OD1 3.07Å; E221-D223 PolarHBondContact O-N 2.79Å; D223-W262 HydrophobicContact CB-CB 3.7Å; D223-W262 HydrophobicContact CB-CG 4.47Å; D223-W262 VanDerWaalsContact CG-CB 3.49Å
224S97.3Very high97.7Very high17 Ų1751.6 Ų51.612%0.11928%0.28CS..SBendtrans-68.7165173.181.90000111.5Q215 N220 E221 G226Q215-S224 WeakPolarHBondContact CG-OG 3.31Å; Q215-S224 PolarHBondContact NE2-O 3.28Å; N220-S224 WeakPolarHBondContact CB-OG 3.48Å; E221-S224 WeakPolarHBondContact O-CB 3.46Å; E221-S224 PolarHBondContact O-N 3.23Å; E221-S224 PolarHBondContact O-OG 2.96Å; E221-S224 VanDerWaalsContact O-OG 3.05Å; S224-G226 PolarHBondContact O-N 3.13Å
225D96.6Very high97.6Very high164 Ų16454 Ų5488%0.87729%0.292SS*.SBendtrans-53.6132.9170.5-75.1-10.8000110.8
226G96.8Very high97.6Very high46 Ų4654.1 Ų54.147%0.47429%0.294SS..SBendtrans169.7-173.8-178.300000112.2V216 S224V216-G226 CarbonylContact O-C 3.57Å; V216-G226 WeakPolarHBondContact O-CA 3.36Å; S224-G226 PolarHBondContact O-N 3.13Å
227E98Very high97.6Very high114 Ų11454 Ų5453%0.53329%0.293SS..SBendtrans-93.6-13-172.363-173.2-114.700114.3Q191 V216Q191-E227 WeakPolarHBondContact CG-OE1 3.46Å; Q191-E227 PolarHBondContact NE2-OE1 3.18Å; V216-E227 HydrophobicContact CB-CG 3.85Å; V216-E227 VanDerWaalsContact CG1-CD 3.47Å; V216-E227 HydrophobicContact CG1-CG 3.82Å; V216-E227 PolarHBondContact O-N 3.23Å
228L98.4Very high97.6Very high19 Ų1950.8 Ų50.810%0.09927%0.271CS..  trans-97.6131.2-176.3-61-179000112.8I187 Q191 L197 Q215 V216 Y230 L233I187-L228 HydrophobicContact CG2-CD1 3.8Å; Q191-L228 HydrophobicContact CB-CD1 4.22Å; Q191-L228 HydrophobicContact CB-CD2 4.3Å; Q191-L228 HydrophobicContact CG-CD1 4.26Å; Q191-L228 HydrophobicContact CG-CD2 3.72Å; Q191-L228 HydrophobicContact CG-CG 4.22Å; L197-L228 HydrophobicContact CD1-CD1 4.35Å; L197-L228 HydrophobicContact CD1-CD2 3.55Å; Q215-L228 PolarHBondContact NE2-O 2.86Å; Q215-L228 VanDerWaalsContact NE2-O 3.11Å; Q215-L228 VanDerWaalsContact OE1-CB 3.31Å; V216-L228 HydrophobicContact CB-CD1 4.27Å; V216-L228 HydrophobicContact CB-CG 4.33Å; V216-L228 HydrophobicContact CG2-CD1 3.75Å; V216-L228 HydrophobicContact CG2-CG 4.33Å; L228-Y230 HydrophobicContact CB-CD2 4.2Å; L228-Y230 HydrophobicContact CB-CE2 4Å; L228-Y230 HydrophobicContact CD1-CE2 4.1Å; L228-Y230 PolarHBondContact O-N 3.41Å; L228-L233 HydrophobicContact CB-CD1 4.27Å; L228-L233 HydrophobicContact CD1-CD1 4.42Å; L228-L233 HydrophobicContact CD2-CD1 4.47Å
229C98.1Very high97.6Very high82 Ų8255.4 Ų55.455%0.55428%0.278SS*.  trans-88.989.6169.2-1750000110.6R231 Y232 L233C229-R231 VanDerWaalsContact C-N 3.3Å; C229-R231 PolarHBondContact O-N 3.28Å; C229-Y232 WeakPolarHBondContact O-CB 3.46Å; C229-Y232 PolarHBondContact O-N 3.13Å; C229-L233 PolarHBondContact O-N 2.99Å
230Y97.9Very high97.5Very high11 Ų1155.8 Ų55.84%0.04328%0.282CS..Hα-helixtrans-64.1-30.6-176.9-90.2-74.3000114.3I187 I213 A214 P222 L228 Y232 L233 L234I187-Y230 HydrophobicContact CD1-CE1 4.35Å; I187-Y230 HydrophobicContact CG2-CE1 4.33Å; I213-Y230 HydrophobicContact CB-CD1 4.36Å; I213-Y230 HydrophobicContact CB-CE1 3.53Å; I213-Y230 HydrophobicContact CG2-CD1 4.27Å; I213-Y230 HydrophobicContact CG2-CE1 3.53Å; A214-Y230 VanDerWaalsContact C-OH 3.24Å; A214-Y230 PolarHBondContact N-OH 2.95Å; A214-Y230 PolarHBondContact O-OH 2.74Å; P222-Y230 HydrophobicContact CB-CD1 4.32Å; P222-Y230 HydrophobicContact CB-CD2 3.6Å; P222-Y230 HydrophobicContact CB-CE2 4.09Å; P222-Y230 HydrophobicContact CB-CG 3.71Å; P222-Y230 VanDerWaalsContact O-CD2 3.24Å; P222-Y230 WeakPolarHBondContact O-CD2 3.4Å; L228-Y230 HydrophobicContact CB-CD2 4.2Å; L228-Y230 HydrophobicContact CB-CE2 4Å; L228-Y230 HydrophobicContact CD1-CE2 4.1Å; L228-Y230 PolarHBondContact O-N 3.41Å; Y230-Y232 PolarHBondContact O-N 2.96Å; Y230-L233 HydrophobicContact CD1-CB 4.44Å; Y230-L233 HydrophobicContact CD1-CD1 4.18Å; Y230-L233 HydrophobicContact CE1-CD1 4.14Å; Y230-L233 PolarHBondContact O-N 3.4Å; Y230-L234 WeakPolarHBondContact O-CB 3.48Å; Y230-L234 VanDerWaalsContact O-CG 3.25Å; Y230-L234 WeakPolarHBondContact O-CG 3.44Å; Y230-L234 PolarHBondContact O-N 3.08Å
231R96.3Very high97.5Very high196 Ų19656.1 Ų56.174%0.7429%0.292SS*.Hα-helixtrans-54.6-42.2171.5178.2178.9-84.4174.2-4.3111.8C229 N235C229-R231 VanDerWaalsContact C-N 3.3Å; C229-R231 PolarHBondContact O-N 3.28Å; R231-N235 WeakPolarHBondContact O-CB 3.46Å; R231-N235 PolarHBondContact O-N 3.25Å
232Y97.8Very high97.5Very high112 Ų11256.4 Ų56.444%0.43929%0.292SS..Hα-helixtrans-70.6-42.7178.1171-90.6000112.1T198 C229 Y230 N235 T236T198-Y232 VanDerWaalsContact CG2-OH 3.3Å; T198-Y232 WeakPolarHBondContact CG2-OH 3.41Å; T198-Y232 VanDerWaalsContact OG1-CE1 3.29Å; T198-Y232 WeakPolarHBondContact OG1-CE1 3.31Å; T198-Y232 PolarHBondContact OG1-OH 3.2Å; T198-Y232 VanDerWaalsContact OG1-OH 3.04Å; C229-Y232 WeakPolarHBondContact O-CB 3.46Å; C229-Y232 PolarHBondContact O-N 3.13Å; Y230-Y232 PolarHBondContact O-N 2.96Å; Y232-N235 PolarHBondContact O-N 2.97Å; Y232-T236 PolarHBondContact O-N 3.05Å; Y232-T236 PolarHBondContact O-OG1 3.44Å
233L98.4Very high97.4Very high8 Ų861.3 Ų61.34%0.04232%0.315CS..Hα-helixtrans-66.8-42.8-179-63.1174.6000112.2I187 L197 M201 L228 C229 Y230 T236 L237I187-L233 HydrophobicContact CD1-CD1 4.44Å; I187-L233 HydrophobicContact CG2-CD1 4.01Å; L197-L233 HydrophobicContact CB-CD2 4.12Å; L197-L233 HydrophobicContact CD1-CD1 3.99Å; L197-L233 HydrophobicContact CD1-CD2 4.09Å; M201-L233 HydrophobicContact SD-CD2 4Å; L228-L233 HydrophobicContact CB-CD1 4.27Å; L228-L233 HydrophobicContact CD1-CD1 4.42Å; L228-L233 HydrophobicContact CD2-CD1 4.47Å; C229-L233 PolarHBondContact O-N 2.99Å; Y230-L233 HydrophobicContact CD1-CB 4.44Å; Y230-L233 HydrophobicContact CD1-CD1 4.18Å; Y230-L233 HydrophobicContact CE1-CD1 4.14Å; Y230-L233 PolarHBondContact O-N 3.4Å; L233-T236 WeakPolarHBondContact O-CA 3.36Å; L233-T236 VanDerWaalsContact O-CB 3.31Å; L233-T236 WeakPolarHBondContact O-CB 3.37Å; L233-T236 PolarHBondContact O-N 3.04Å; L233-T236 VanDerWaalsContact O-N 3.12Å; L233-L237 PolarHBondContact O-N 3.28Å
234L97.9Very high97.4Very high13 Ų1357.5 Ų57.57%0.06830%0.297CS..Hα-helixtrans-63-46175.4-65.6176.3000111.2L4 F6 Y230 T236 L237 E238 I246 Y266L4-L234 HydrophobicContact CD1-CB 3.85Å; L4-L234 HydrophobicContact CD1-CD2 3.81Å; L4-L234 HydrophobicContact CD1-CG 4.38Å; F6-L234 HydrophobicContact CE1-CD2 4.07Å; F6-L234 HydrophobicContact CZ-CD1 4.23Å; F6-L234 HydrophobicContact CZ-CD2 4.02Å; Y230-L234 WeakPolarHBondContact O-CB 3.48Å; Y230-L234 VanDerWaalsContact O-CG 3.25Å; Y230-L234 WeakPolarHBondContact O-CG 3.44Å; Y230-L234 PolarHBondContact O-N 3.08Å; L234-T236 PolarHBondContact O-N 2.51Å; L234-L237 WeakPolarHBondContact O-CB 3.46Å; L234-L237 PolarHBondContact O-N 3.2Å; L234-E238 WeakPolarHBondContact O-CG 3.22Å; L234-E238 PolarHBondContact O-N 3.46Å; L234-I246 HydrophobicContact CD2-CD1 3.81Å; L234-Y266 HydrophobicContact CD1-CD2 4.32Å; L234-Y266 HydrophobicContact CD1-CE2 4.49Å
235N96.8Very high97.5Very high49 Ų4957.7 Ų57.726%0.26230%0.295SS..Hα-helixtrans-60.5-30.1173.2177.948.2000112.7R231 Y232 K239R231-N235 WeakPolarHBondContact O-CB 3.46Å; R231-N235 PolarHBondContact O-N 3.25Å; Y232-N235 PolarHBondContact O-N 2.97Å; N235-K239 WeakPolarHBondContact ND2-CE 3.4Å; N235-K239 PolarHBondContact ND2-NZ 2.72Å; N235-K239 WeakPolarHBondContact O-CB 3.3Å; N235-K239 VanDerWaalsContact O-CG 3.28Å; N235-K239 WeakPolarHBondContact O-CG 3.5Å; N235-K239 PolarHBondContact O-N 3.38Å; N235-K239 WeakPolarHBondContact OD1-CE 3.27Å
236T97.9Very high97.6Very high8 Ų849.9 Ų49.95%0.04925%0.254CS..Hα-helixtrans-68-43.2173.8-58.10000110.9M201 Y232 L233 L234 K239 L240M201-T236 HydrophobicContact CE-CG2 3.89Å; M201-T236 HydrophobicContact SD-CG2 4.3Å; Y232-T236 PolarHBondContact O-N 3.05Å; Y232-T236 PolarHBondContact O-OG1 3.44Å; L233-T236 WeakPolarHBondContact O-CA 3.36Å; L233-T236 VanDerWaalsContact O-CB 3.31Å; L233-T236 WeakPolarHBondContact O-CB 3.37Å; L233-T236 PolarHBondContact O-N 3.04Å; L233-T236 VanDerWaalsContact O-N 3.12Å; L234-T236 PolarHBondContact O-N 2.51Å; T236-K239 PolarHBondContact O-N 3.11Å; T236-L240 HydrophobicContact CG2-CD1 4.18Å; T236-L240 WeakPolarHBondContact O-CB 3.47Å; T236-L240 VanDerWaalsContact O-CG 3.32Å; T236-L240 WeakPolarHBondContact O-CG 3.47Å; T236-L240 PolarHBondContact O-N 3.07Å
237L98.1Very high97.7Very high1 Ų147.7 Ų47.71%0.00523%0.231CC..Hα-helixtrans-63.1-39.6174-69.5172.1000112.5L4 M185 M201 V211 L233 L234 L240 G241 Y242 I246L4-L237 HydrophobicContact CD1-CB 4.36Å; L4-L237 HydrophobicContact CD2-CB 4.05Å; M185-L237 HydrophobicContact CE-CD2 3.9Å; M201-L237 HydrophobicContact CE-CD1 4.36Å; M201-L237 HydrophobicContact CE-CD2 3.47Å; M201-L237 VanDerWaalsContact CE-CD2 3.47Å; M201-L237 HydrophobicContact CE-CG 3.49Å; M201-L237 VanDerWaalsContact CE-CG 3.49Å; V211-L237 HydrophobicContact CG1-CD1 4.06Å; V211-L237 HydrophobicContact CG2-CD2 4.4Å; L233-L237 PolarHBondContact O-N 3.28Å; L234-L237 WeakPolarHBondContact O-CB 3.46Å; L234-L237 PolarHBondContact O-N 3.2Å; L237-L240 PolarHBondContact O-N 3.05Å; L237-G241 PolarHBondContact O-N 2.77Å; L237-Y242 HydrophobicContact CD2-CG 4.48Å; L237-Y242 PolarHBondContact O-N 2.77Å; L237-I246 HydrophobicContact CD1-CD1 3.68Å; L237-I246 HydrophobicContact CD1-CG1 4.48Å
238E97.2Very high97.7Very high19 Ų1942.2 Ų42.29%0.08921%0.206CC..Hα-helixtrans-61.2-44.8175.3-71.3169.4171.500111.8M1 L4 L234 G241 Y266 Y270M1-E238 HydrophobicContact CB-CB 4.38Å; M1-E238 HydrophobicContact CE-CB 4.46Å; M1-E238 HydrophobicContact SD-CB 4.1Å; L4-E238 HydrophobicContact CD1-CG 3.81Å; L4-E238 HydrophobicContact CD2-CG 4.02Å; L4-E238 HydrophobicContact CG-CG 3.65Å; L234-E238 WeakPolarHBondContact O-CG 3.22Å; L234-E238 PolarHBondContact O-N 3.46Å; E238-G241 WeakPolarHBondContact O-CA 3.37Å; E238-G241 PolarHBondContact O-N 3.24Å; E238-Y266 WeakPolarHBondContact OE1-CE2 3.48Å; E238-Y266 PolarHBondContact OE1-OH 3.36Å; E238-Y270 PolarHBondContact OE1-OH 3.02Å; E238-Y270 PolarHBondContact OE2-OH 2.86Å
239K96.9Very high97.8Very high140 Ų14042.1 Ų42.161%0.60921%0.205SC*.Hα-helixtrans-67.1-35.2177.1-74172-179175.80113.1M1 N235 T236 G241M1-K239 HydrophobicContact CE-CG 4.35Å; M1-K239 HydrophobicContact SD-CB 4.42Å; M1-K239 HydrophobicContact SD-CG 3.71Å; N235-K239 WeakPolarHBondContact ND2-CE 3.4Å; N235-K239 PolarHBondContact ND2-NZ 2.72Å; N235-K239 WeakPolarHBondContact O-CB 3.3Å; N235-K239 VanDerWaalsContact O-CG 3.28Å; N235-K239 WeakPolarHBondContact O-CG 3.5Å; N235-K239 PolarHBondContact O-N 3.38Å; N235-K239 WeakPolarHBondContact OD1-CE 3.27Å; T236-K239 PolarHBondContact O-N 3.11Å; K239-G241 PolarHBondContact O-N 3Å
240L97.4Very high97.8Very high36 Ų3638.2 Ų38.219%0.18818%0.178CC..Hα-helixtrans-69.4-15.5171.2-73.1171000112M201 H202 F205 T236 L237M201-L240 HydrophobicContact CB-CD1 4.25Å; H202-L240 WeakPolarHBondContact ND1-CD2 3.09Å; F205-L240 HydrophobicContact CB-CD1 4.4Å; F205-L240 HydrophobicContact CB-CD2 4.42Å; F205-L240 HydrophobicContact CD1-CB 4.34Å; F205-L240 HydrophobicContact CD1-CD2 4.36Å; F205-L240 HydrophobicContact CD2-CB 3.86Å; F205-L240 HydrophobicContact CD2-CD1 3.86Å; F205-L240 HydrophobicContact CD2-CG 4.32Å; F205-L240 HydrophobicContact CE1-CB 4.15Å; F205-L240 WeakPolarHBondContact CE1-O 3.26Å; F205-L240 HydrophobicContact CE2-CB 3.65Å; F205-L240 HydrophobicContact CE2-CD1 4.42Å; F205-L240 HydrophobicContact CG-CB 4.2Å; F205-L240 HydrophobicContact CG-CD1 4.2Å; F205-L240 HydrophobicContact CG-CD2 4.2Å; F205-L240 HydrophobicContact CG-CG 4.45Å; F205-L240 HydrophobicContact CZ-CB 3.81Å; F205-L240 WeakPolarHBondContact CZ-O 3.37Å; T236-L240 HydrophobicContact CG2-CD1 4.18Å; T236-L240 WeakPolarHBondContact O-CB 3.47Å; T236-L240 VanDerWaalsContact O-CG 3.32Å; T236-L240 WeakPolarHBondContact O-CG 3.47Å; T236-L240 PolarHBondContact O-N 3.07Å; L237-L240 PolarHBondContact O-N 3.05Å
241G97.2Very high97.8Very high34 Ų3443.8 Ų43.835%0.35120%0.203SC..THydrogen-bonded Turntrans77.929.5178.900000113.2L237 E238 K239 Q243L237-G241 PolarHBondContact O-N 2.77Å; E238-G241 WeakPolarHBondContact O-CA 3.37Å; E238-G241 PolarHBondContact O-N 3.24Å; K239-G241 PolarHBondContact O-N 3Å; G241-Q243 WeakPolarHBondContact O-CG 3.33Å; G241-Q243 PolarHBondContact O-N 2.9Å; G241-Q243 PolarHBondContact O-NE2 3.26Å
242Y98.1Very high97.9Very high16 Ų1635.2 Ų35.26%0.06317%0.172CC..  trans-57126.6178-174.3-114.3000111.7L4 F205 I208 H210 V211 L237 G244 Y245 I246L4-Y242 HydrophobicContact CD2-CD1 4.27Å; F205-Y242 HydrophobicContact CE2-CD2 4.06Å; F205-Y242 HydrophobicContact CE2-CG 4.48Å; I208-Y242 HydrophobicContact CG2-CE2 4.16Å; H210-Y242 WeakPolarHBondContact CA-OH 3.39Å; V211-Y242 HydrophobicContact CB-CE1 4.17Å; V211-Y242 HydrophobicContact CG2-CD1 4.46Å; V211-Y242 HydrophobicContact CG2-CD2 4.39Å; V211-Y242 HydrophobicContact CG2-CE1 3.9Å; V211-Y242 HydrophobicContact CG2-CE2 3.84Å; V211-Y242 PolarHBondContact N-OH 3.02Å; L237-Y242 HydrophobicContact CD2-CG 4.48Å; L237-Y242 PolarHBondContact O-N 2.77Å; Y242-G244 VanDerWaalsContact CE1-C 3.41Å; Y242-G244 WeakPolarHBondContact CE1-O 3.46Å; Y242-Y245 WeakPolarHBondContact CE1-O 3.4Å; Y242-Y245 PolarHBondContact OH-O 3.41Å; Y242-I246 HydrophobicContact CD1-CG1 4.17Å; Y242-I246 HydrophobicContact CE1-CG1 3.79Å
243Q96.4Very high97.9Very high110 Ų11035.6 Ų35.651%0.51418%0.181SC..  trans-112.3-6.6-176.4-61.8-54-58.700114K5 G241K5-Q243 WeakPolarHBondContact CE-O 3.28Å; K5-Q243 PolarHBondContact NZ-O 3.11Å; G241-Q243 WeakPolarHBondContact O-CG 3.33Å; G241-Q243 PolarHBondContact O-N 2.9Å; G241-Q243 PolarHBondContact O-NE2 3.26Å
244G96.8Very high97.7Very high12 Ų1240.1 Ų40.112%0.12421%0.206CC..SBendtrans-76.7-176.4178.300000112.7Y242Y242-G244 VanDerWaalsContact CE1-C 3.41Å; Y242-G244 WeakPolarHBondContact CE1-O 3.46Å
245Y98.3Very high97.7Very high21 Ų2140.9 Ų40.98%0.08221%0.212CC..EExtended strand (participates in β ladder)trans-86.5151.5171.5-73.7-87.4000110.7K5 C7 A34 E58 V60 H210 Y242K5-Y245 HydrophobicContact CB-CD1 3.57Å; K5-Y245 HydrophobicContact CB-CE1 3.7Å; K5-Y245 HydrophobicContact CB-CG 4.18Å; K5-Y245 HydrophobicContact CD-CE1 4.33Å; K5-Y245 CarbonylContact O-C 3.56Å; K5-Y245 WeakPolarHBondContact O-CA 3.34Å; C7-Y245 HydrophobicContact CB-CD1 4.14Å; C7-Y245 HydrophobicContact CB-CG 4.45Å; A34-Y245 HydrophobicContact CB-CD1 3.64Å; A34-Y245 HydrophobicContact CB-CE1 3.28Å; A34-Y245 HydrophobicContact CB-CE2 4.44Å; A34-Y245 HydrophobicContact CB-CG 4.36Å; E58-Y245 PolarHBondContact OE1-OH 3.26Å; V60-Y245 HydrophobicContact CB-CD2 4.14Å; V60-Y245 HydrophobicContact CG1-CD2 3.62Å; V60-Y245 HydrophobicContact CG1-CE2 3.66Å; V60-Y245 HydrophobicContact CG1-CG 4.13Å; V60-Y245 HydrophobicContact CG2-CD2 4.47Å; V60-Y245 HydrophobicContact CG2-CG 4.36Å; H210-Y245 PolarHBondContact CE1-O 3.35Å; H210-Y245 PolarHBondContact ND1-O 2.98Å; Y242-Y245 WeakPolarHBondContact CE1-O 3.4Å; Y242-Y245 PolarHBondContact OH-O 3.41Å
246I98.9Very high97.7Very high0 Ų038.7 Ų38.70%020%0.2CC..EExtended strand (participates in β ladder)trans-108.2115.4169.8-59.1179.7000107.7L4 K5 F6 C7 V211 I213 L234 L237 Y242L4-I246 HydrophobicContact CB-CD1 4.05Å; L4-I246 HydrophobicContact CD1-CD1 3.72Å; L4-I246 HydrophobicContact CD2-CD1 4.17Å; L4-I246 HydrophobicContact CG-CD1 4.2Å; K5-I246 PolarHBondContact O-N 2.66Å; F6-I246 CarbonylContact C-O 3.54Å; F6-I246 VanDerWaalsContact CA-O 3.31Å; F6-I246 WeakPolarHBondContact CA-O 3.49Å; F6-I246 HydrophobicContact CD1-CB 3.79Å; F6-I246 HydrophobicContact CD1-CG2 4Å; F6-I246 HydrophobicContact CE1-CB 3.98Å; F6-I246 HydrophobicContact CE1-CD1 4.06Å; F6-I246 HydrophobicContact CE1-CG2 3.99Å; F6-I246 HydrophobicContact CZ-CD1 4.28Å; C7-I246 PolarHBondContact N-O 3.42Å; V211-I246 HydrophobicContact CB-CG1 4.25Å; V211-I246 HydrophobicContact CG1-CG1 4.28Å; V211-I246 HydrophobicContact CG1-CG2 4.12Å; V211-I246 CarbonylContact O-C 3.45Å; V211-I246 WeakPolarHBondContact O-CA 3.39Å; I213-I246 HydrophobicContact CB-CG2 4.39Å; I213-I246 HydrophobicContact CD1-CG2 3.83Å; I213-I246 HydrophobicContact CG1-CG2 3.88Å; I213-I246 HydrophobicContact CG2-CG2 3.69Å; L234-I246 HydrophobicContact CD2-CD1 3.81Å; L237-I246 HydrophobicContact CD1-CD1 3.68Å; L237-I246 HydrophobicContact CD1-CG1 4.48Å; Y242-I246 HydrophobicContact CD1-CG1 4.17Å; Y242-I246 HydrophobicContact CE1-CG1 3.79Å
247G98.9Very high97.7Very high0 Ų045.5 Ų45.50%023%0.232CC..EExtended strand (participates in β ladder)trans-75.5123.7177.400000112.6C7 E36 V211 Q212 I213 E249C7-G247 VanDerWaalsContact SG-CA 3.52Å; E36-G247 VanDerWaalsContact OE2-CA 3.29Å; E36-G247 WeakPolarHBondContact OE2-CA 3.3Å; V211-G247 PolarHBondContact O-N 3.1Å; Q212-G247 VanDerWaalsContact CA-O 3.31Å; Q212-G247 WeakPolarHBondContact CA-O 3.12Å; I213-G247 PolarHBondContact N-O 3.1Å; G247-E249 VanDerWaalsContact C-N 3.28Å; G247-E249 PolarHBondContact O-N 3.33Å; G247-E249 VanDerWaalsContact O-N 3.09Å
248C98.8Very high97.6Very high0 Ų052.4 Ų52.40%026%0.262CS..EExtended strand (participates in β ladder)trans-81.972.5172.9-59.90000109.8C7 N9 L13 Y250C7-C248 PolarHBondContact O-N 3.04Å; N9-C248 VanDerWaalsContact CB-O 3.28Å; N9-C248 WeakPolarHBondContact CB-O 3.49Å; N9-C248 PolarHBondContact N-O 3.36Å; L13-C248 HydrophobicContact CD1-CB 3.77Å; L13-C248 WeakPolarHBondContact CD1-O 3.34Å; C248-Y250 HydrophobicContact CB-CD1 4.15Å; C248-Y250 HydrophobicContact CB-CE1 3.77Å; C248-Y250 PolarHBondContact O-N 3.34Å
249E98.8Very high97.6Very high16 Ų1651.6 Ų51.68%0.07526%0.258CS..  trans-94.668.4-177-167175.9-161.700112.3N9 W12 Q212 I213 A214 R219 G247N9-E249 HydrophobicContact CB-CB 4.04Å; N9-E249 HydrophobicContact CB-CG 4.27Å; N9-E249 VanDerWaalsContact ND2-CG 3.31Å; N9-E249 WeakPolarHBondContact ND2-CG 3.26Å; W12-E249 HydrophobicContact CD2-CG 4.45Å; W12-E249 HydrophobicContact CG-CG 4.02Å; W12-E249 VanDerWaalsContact NE1-CG 3.3Å; W12-E249 PolarHBondContact NE1-OE1 3.17Å; Q212-E249 HydrophobicContact CB-CB 4.41Å; Q212-E249 HydrophobicContact CG-CB 4.45Å; Q212-E249 PolarHBondContact NE2-OE2 3.12Å; Q212-E249 PolarHBondContact OE1-OE2 3.2Å; I213-E249 PolarHBondContact O-N 3.38Å; A214-E249 WeakPolarHBondContact CB-O 3.27Å; R219-E249 IonicContact NH2-OE2 3.55Å; G247-E249 VanDerWaalsContact C-N 3.28Å; G247-E249 PolarHBondContact O-N 3.33Å; G247-E249 VanDerWaalsContact O-N 3.09Å
250Y98.8Very high97.7Very high0 Ų045 Ų450%023%0.23CC..  trans-132.7156.9179.165.5-99.9000111.8W12 L13 R219 N220 E221 C248 P252 S259 W262W12-Y250 WeakPolarHBondContact CB-O 3.3Å; L13-Y250 HydrophobicContact CD1-CE1 4.35Å; L13-Y250 HydrophobicContact CD2-CD2 3.9Å; L13-Y250 HydrophobicContact CD2-CE1 4.27Å; L13-Y250 HydrophobicContact CD2-CE2 3.44Å; L13-Y250 VanDerWaalsContact CD2-CE2 3.44Å; L13-Y250 HydrophobicContact CD2-CG 4.43Å; L13-Y250 WeakPolarHBondContact CD2-O 3.5Å; R219-Y250 CarbonylContact O-C 3.56Å; R219-Y250 WeakPolarHBondContact O-CA 3.15Å; R219-Y250 WeakPolarHBondContact O-CB 3.39Å; N220-Y250 WeakPolarHBondContact O-CB 3.47Å; E221-Y250 HydrophobicContact CB-CD2 4.44Å; E221-Y250 HydrophobicContact CB-CE2 4.21Å; E221-Y250 HydrophobicContact CG-CD2 4.02Å; E221-Y250 HydrophobicContact CG-CE2 3.49Å; E221-Y250 VanDerWaalsContact CG-CE2 3.49Å; C248-Y250 HydrophobicContact CB-CD1 4.15Å; C248-Y250 HydrophobicContact CB-CE1 3.77Å; C248-Y250 PolarHBondContact O-N 3.34Å; Y250-P252 HydrophobicContact CD2-CG 4.48Å; Y250-P252 HydrophobicContact CE2-CG 4.11Å; Y250-P252 WeakPolarHBondContact O-CD 3.31Å; Y250-S259 PolarHBondContact OH-O 3.21Å; Y250-S259 PolarHBondContact OH-OG 2.94Å; Y250-W262 HydrophobicContact CE1-CZ2 4.07Å; Y250-W262 AromaticContact CZ-NE1 4Å; Y250-W262 PolarHBondContact OH-NE1 2.69Å
251K98.3Very high97.7Very high129 Ų12944.5 Ų44.556%0.56123%0.233SC*.  trans-88.3119171.2-174.5179.4176.4-176.90109.7W12 R219 N220W12-K251 HydrophobicContact CE3-CB 3.86Å; W12-K251 HydrophobicContact CZ3-CB 3.95Å; R219-K251 PolarHBondContact O-N 2.85Å; N220-K251 WeakPolarHBondContact CA-O 3.47Å; N220-K251 PolarHBondContact ND2-O 2.87Å
252P98.1Very high97.7Very high15 Ų1543.8 Ų43.810%0.09722%0.22CC..  trans-56.8143.7174.9-27.536.9000112.7L13 E221 Y250 D254L13-P252 HydrophobicContact CD2-CG 3.67Å; E221-P252 WeakPolarHBondContact OE1-CA 3.26Å; Y250-P252 HydrophobicContact CD2-CG 4.48Å; Y250-P252 HydrophobicContact CE2-CG 4.11Å; Y250-P252 WeakPolarHBondContact O-CD 3.31Å; P252-D254 VanDerWaalsContact C-N 3.32Å
253L97.3Very high97.6Very high120 Ų12043 Ų4363%0.62822%0.217SC*.SBendtrans-70.2-30.9173.2-79.8170.2000112.4N220 E221N220-L253 HydrophobicContact CB-CD1 4.46Å; N220-L253 HydrophobicContact CB-CD2 4.4Å; N220-L253 HydrophobicContact CB-CG 4.04Å; N220-L253 WeakPolarHBondContact ND2-CD2 3.41Å; E221-L253 PolarHBondContact OE1-N 3.18Å; E221-L253 WeakPolarHBondContact OE2-CG 3.34Å; E221-L253 PolarHBondContact OE2-N 3.09Å
254D95.1Very high97.6Very high103 Ų10342.4 Ų42.455%0.55121%0.214SC*.SBendtrans-127.7-118.6176.2-170.1-3.4000109P252 K258P252-D254 VanDerWaalsContact C-N 3.32Å; D254-K258 HydrophobicContact CB-CD 4.23Å; D254-K258 IonicContact OD1-NZ 3.79Å; D254-K258 WeakPolarHBondContact OD2-CD 3.44Å; D254-K258 WeakPolarHBondContact OD2-CE 3.49Å; D254-K258 IonicContact OD2-NZ 3.17Å; D254-K258 PolarHBondContact OD2-NZ 3.34Å
255S97.2Very high97.5Very high30 Ų3047.6 Ų47.621%0.2124%0.235CC..  trans-88.5156.5171.171.60000111.9E16 E257 K258 S259E16-S255 WeakPolarHBondContact OE1-CA 3.41Å; S255-E257 VanDerWaalsContact C-N 3.3Å; S255-E257 PolarHBondContact O-N 3.09Å; S255-K258 PolarHBondContact O-N 2.87Å; S255-K258 WeakPolarHBondContact OG-CG 3.07Å; S255-K258 PolarHBondContact OG-N 3.24Å; S255-S259 PolarHBondContact O-N 2.93Å
256T98Very high97.4Very high2 Ų247.5 Ų47.51%0.01224%0.235CC..THydrogen-bonded Turntrans-54.8-45.6175.4-56.70000111.4L13 F14 E16 K258 S259 L260L13-T256 HydrophobicContact CB-CG2 3.81Å; L13-T256 HydrophobicContact CD2-CG2 4.23Å; L13-T256 HydrophobicContact CG-CG2 4.46Å; F14-T256 WeakPolarHBondContact CA-OG1 3.11Å; F14-T256 HydrophobicContact CD1-CG2 3.55Å; F14-T256 HydrophobicContact CD2-CG2 3.95Å; F14-T256 HydrophobicContact CE1-CG2 3.45Å; F14-T256 VanDerWaalsContact CE1-CG2 3.45Å; F14-T256 HydrophobicContact CE2-CG2 3.85Å; F14-T256 HydrophobicContact CG-CG2 3.81Å; F14-T256 HydrophobicContact CZ-CG2 3.6Å; F14-T256 PolarHBondContact N-OG1 3.25Å; E16-T256 PolarHBondContact OE1-N 2.96Å; E16-T256 PolarHBondContact OE1-OG1 2.82Å; E16-T256 PolarHBondContact OE2-OG1 3.32Å; T256-K258 VanDerWaalsContact C-N 3.32Å; T256-K258 PolarHBondContact O-N 3.24Å; T256-S259 WeakPolarHBondContact O-CB 3.33Å; T256-S259 PolarHBondContact O-N 3.27Å; T256-S259 PolarHBondContact O-OG 2.94Å; T256-L260 WeakPolarHBondContact O-CG 3.41Å
257E96.8Very high97.1Very high152 Ų15250.6 Ų50.671%0.7125%0.246SC*.G310 helixtrans-61-39.8-178.6-67.6-177.3166.900113.1S255 S259 L260S255-E257 VanDerWaalsContact C-N 3.3Å; S255-E257 PolarHBondContact O-N 3.09Å; E257-S259 PolarHBondContact O-N 2.78Å; E257-L260 PolarHBondContact O-N 3.16Å
258K97.1Very high96.8Very high145 Ų14555.3 Ų55.363%0.6328%0.275SS*.G310 helixtrans-69.4-21.6177.8-68.6175.7-174.7179.60112.6D254 S255 T256 L260D254-K258 HydrophobicContact CB-CD 4.23Å; D254-K258 IonicContact OD1-NZ 3.79Å; D254-K258 WeakPolarHBondContact OD2-CD 3.44Å; D254-K258 WeakPolarHBondContact OD2-CE 3.49Å; D254-K258 IonicContact OD2-NZ 3.17Å; D254-K258 PolarHBondContact OD2-NZ 3.34Å; S255-K258 PolarHBondContact O-N 2.87Å; S255-K258 WeakPolarHBondContact OG-CG 3.07Å; S255-K258 PolarHBondContact OG-N 3.24Å; T256-K258 VanDerWaalsContact C-N 3.32Å; T256-K258 PolarHBondContact O-N 3.24Å; K258-L260 VanDerWaalsContact C-N 3.31Å; K258-L260 PolarHBondContact O-N 3.13Å
259S97.5Very high96.3Very high3 Ų361.2 Ų61.22%0.02130%0.303CS..G310 helixtrans-75.4-13.8178.888.90000114.6E221 Y250 S255 T256 E257 W262E221-S259 WeakPolarHBondContact CG-O 3.37Å; E221-S259 WeakPolarHBondContact OE1-CB 3.38Å; Y250-S259 PolarHBondContact OH-O 3.21Å; Y250-S259 PolarHBondContact OH-OG 2.94Å; S255-S259 PolarHBondContact O-N 2.93Å; T256-S259 WeakPolarHBondContact O-CB 3.33Å; T256-S259 PolarHBondContact O-N 3.27Å; T256-S259 PolarHBondContact O-OG 2.94Å; E257-S259 PolarHBondContact O-N 2.78Å; S259-W262 PolarHBondContact O-NE1 2.97Å
260L97.9Very high95.4Very high2 Ų264.9 Ų64.91%0.0132%0.317CS..G310 helixtrans-92.26.4-167.2-60.3177.2000114.5F14 A30 F32 T256 E257 K258 W262 I263 Q264F14-L260 HydrophobicContact CZ-CD1 4.2Å; A30-L260 HydrophobicContact CB-CD1 3.66Å; F32-L260 HydrophobicContact CE2-CD1 4.14Å; F32-L260 HydrophobicContact CE2-CD2 3.79Å; F32-L260 HydrophobicContact CZ-CD2 3.9Å; T256-L260 WeakPolarHBondContact O-CG 3.41Å; E257-L260 PolarHBondContact O-N 3.16Å; K258-L260 VanDerWaalsContact C-N 3.31Å; K258-L260 PolarHBondContact O-N 3.13Å; L260-W262 VanDerWaalsContact C-N 3.3Å; L260-W262 PolarHBondContact O-N 2.67Å; L260-I263 HydrophobicContact CB-CG2 3.97Å; L260-I263 HydrophobicContact CD2-CG2 4.05Å; L260-I263 VanDerWaalsContact O-CG2 3.24Å; L260-I263 WeakPolarHBondContact O-CG2 3.25Å; L260-I263 PolarHBondContact O-N 2.98Å; L260-Q264 VanDerWaalsContact O-CG 3.31Å; L260-Q264 WeakPolarHBondContact O-CG 3.46Å; L260-Q264 PolarHBondContact O-N 3.31Å; L260-Q264 VanDerWaalsContact O-N 3.1Å
261G97.1Very high93.8Very high25 Ų2572 Ų7226%0.25837%0.367SS..Hα-helixtrans-55.3-44-178.900000112.9I263 Q265G261-I263 PolarHBondContact O-N 3.16Å; G261-Q265 WeakPolarHBondContact O-CB 3.27Å; G261-Q265 VanDerWaalsContact O-CG 3.26Å; G261-Q265 WeakPolarHBondContact O-CG 3.28Å; G261-Q265 PolarHBondContact O-N 2.73Å
262W97.1Very high93.6Very high19 Ų1969.2 Ų69.27%0.07236%0.357CS..Hα-helixtrans-61.6-41.5-179.768.8-87.5000113.8F6 I213 P222 D223 Y250 S259 L260 Y266F6-W262 AromaticContact CD1-CH2 3.82Å; F6-W262 HydrophobicContact CD1-CH2 3.82Å; F6-W262 HydrophobicContact CD1-CZ3 4.18Å; F6-W262 AromaticContact CE1-CH2 3.78Å; F6-W262 HydrophobicContact CE1-CH2 3.78Å; F6-W262 AromaticContact CE1-CZ3 3.7Å; F6-W262 HydrophobicContact CE1-CZ3 3.7Å; F6-W262 HydrophobicContact CZ-CZ3 4.19Å; I213-W262 HydrophobicContact CD1-CH2 3.64Å; I213-W262 HydrophobicContact CD1-CZ2 4.35Å; I213-W262 HydrophobicContact CD1-CZ3 4.05Å; P222-W262 HydrophobicContact CB-CD2 4.12Å; P222-W262 HydrophobicContact CB-CE3 4.27Å; P222-W262 HydrophobicContact CG-CD2 4.04Å; P222-W262 HydrophobicContact CG-CE3 4.32Å; P222-W262 HydrophobicContact CG-CH2 4.08Å; P222-W262 HydrophobicContact CG-CZ2 3.76Å; P222-W262 HydrophobicContact CG-CZ3 4.34Å; D223-W262 HydrophobicContact CB-CB 3.7Å; D223-W262 HydrophobicContact CB-CG 4.47Å; D223-W262 VanDerWaalsContact CG-CB 3.49Å; Y250-W262 HydrophobicContact CE1-CZ2 4.07Å; Y250-W262 AromaticContact CZ-NE1 4Å; Y250-W262 PolarHBondContact OH-NE1 2.69Å; S259-W262 PolarHBondContact O-NE1 2.97Å; L260-W262 VanDerWaalsContact C-N 3.3Å; L260-W262 PolarHBondContact O-N 2.67Å; W262-Y266 PolarHBondContact O-N 2.69Å
263I96.9Very high93.3Very high0 Ų072.1 Ų72.10%037%0.371CS..Hα-helixtrans-78.6-35.2-175.8-166.5171.8000111.2F6 F32 L260 G261 Q265 Y266 W267F6-I263 HydrophobicContact CB-CD1 3.5Å; F6-I263 VanDerWaalsContact CB-CD1 3.5Å; F6-I263 HydrophobicContact CD1-CD1 4.06Å; F6-I263 HydrophobicContact CD2-CD1 4.07Å; F6-I263 HydrophobicContact CD2-CG1 4.33Å; F6-I263 HydrophobicContact CG-CD1 3.6Å; F6-I263 HydrophobicContact CG-CG1 4.3Å; F32-I263 HydrophobicContact CD1-CD1 4.47Å; F32-I263 HydrophobicContact CE1-CD1 3.54Å; F32-I263 HydrophobicContact CZ-CD1 3.82Å; F32-I263 HydrophobicContact CZ-CG2 4.49Å; L260-I263 HydrophobicContact CB-CG2 3.97Å; L260-I263 HydrophobicContact CD2-CG2 4.05Å; L260-I263 VanDerWaalsContact O-CG2 3.24Å; L260-I263 WeakPolarHBondContact O-CG2 3.25Å; L260-I263 PolarHBondContact O-N 2.98Å; G261-I263 PolarHBondContact O-N 3.16Å; I263-Q265 VanDerWaalsContact C-N 3.32Å; I263-Q265 PolarHBondContact O-N 3.21Å; I263-Y266 WeakPolarHBondContact O-CB 3.16Å; I263-Y266 PolarHBondContact O-N 3.27Å; I263-Y266 VanDerWaalsContact O-N 3.13Å; I263-W267 HydrophobicContact CD1-CH2 3.79Å; I263-W267 HydrophobicContact CD1-CZ2 3.32Å; I263-W267 HydrophobicContact CG1-CD2 4.02Å; I263-W267 HydrophobicContact CG1-CE3 4.37Å; I263-W267 HydrophobicContact CG1-CH2 4.02Å; I263-W267 HydrophobicContact CG1-CZ2 3.63Å; I263-W267 HydrophobicContact CG1-CZ3 4.37Å; I263-W267 HydrophobicContact CG2-CH2 4.26Å; I263-W267 HydrophobicContact CG2-CZ3 4.22Å; I263-W267 PolarHBondContact O-N 2.79Å
264Q96.1Very high93.1Very high96 Ų9669.4 Ų69.445%0.44936%0.357SS..Hα-helixtrans-61.6-42.5171.8-69.4171.5-1.100111.1L260 Y266 W267 T268L260-Q264 VanDerWaalsContact O-CG 3.31Å; L260-Q264 WeakPolarHBondContact O-CG 3.46Å; L260-Q264 PolarHBondContact O-N 3.31Å; L260-Q264 VanDerWaalsContact O-N 3.1Å; Q264-Y266 VanDerWaalsContact C-N 3.31Å; Q264-Y266 PolarHBondContact O-N 3.3Å; Q264-W267 PolarHBondContact O-N 3.31Å; Q264-T268 PolarHBondContact O-N 3.04Å; Q264-T268 PolarHBondContact O-OG1 3.08Å
265Q94.9Very high93Very high122 Ų12267.4 Ų67.457%0.5735%0.345SS*.Hα-helixtrans-62.6-37.1173.2-73.1174.621.200112.3G261 I263 Q269G261-Q265 WeakPolarHBondContact O-CB 3.27Å; G261-Q265 VanDerWaalsContact O-CG 3.26Å; G261-Q265 WeakPolarHBondContact O-CG 3.28Å; G261-Q265 PolarHBondContact O-N 2.73Å; I263-Q265 VanDerWaalsContact C-N 3.32Å; I263-Q265 PolarHBondContact O-N 3.21Å; Q265-Q269 WeakPolarHBondContact O-CG 3.33Å; Q265-Q269 PolarHBondContact O-N 3.41Å; Q265-Q269 PolarHBondContact O-NE2 3.26Å
266Y95.3Very high92.7Very high18 Ų1869.8 Ų69.87%0.07135%0.354CS..Hα-helixtrans-65.9-50.8175.3-177.9-84.9000111.5L4 F6 L234 E238 W262 I263 Q264 T268 Q269 Y270L4-Y266 HydrophobicContact CB-CE1 4.32Å; L4-Y266 WeakPolarHBondContact CB-OH 3.03Å; L4-Y266 HydrophobicContact CD1-CE2 4.49Å; L4-Y266 WeakPolarHBondContact CG-OH 3.41Å; L4-Y266 PolarHBondContact N-OH 3.2Å; F6-Y266 HydrophobicContact CD2-CD1 4.39Å; F6-Y266 HydrophobicContact CD2-CE1 4.45Å; F6-Y266 AromaticContact CE2-CD1 3.54Å; F6-Y266 HydrophobicContact CE2-CD1 3.54Å; F6-Y266 AromaticContact CE2-CE1 3.49Å; F6-Y266 HydrophobicContact CE2-CE1 3.49Å; F6-Y266 VanDerWaalsContact CE2-CE1 3.49Å; F6-Y266 HydrophobicContact CE2-CG 4.16Å; F6-Y266 HydrophobicContact CZ-CD1 4.23Å; F6-Y266 HydrophobicContact CZ-CE1 4.24Å; F6-Y266 HydrophobicContact CZ-CG 4.43Å; L234-Y266 HydrophobicContact CD1-CD2 4.32Å; L234-Y266 HydrophobicContact CD1-CE2 4.49Å; E238-Y266 WeakPolarHBondContact OE1-CE2 3.48Å; E238-Y266 PolarHBondContact OE1-OH 3.36Å; W262-Y266 PolarHBondContact O-N 2.69Å; I263-Y266 WeakPolarHBondContact O-CB 3.16Å; I263-Y266 PolarHBondContact O-N 3.27Å; I263-Y266 VanDerWaalsContact O-N 3.13Å; Q264-Y266 VanDerWaalsContact C-N 3.31Å; Q264-Y266 PolarHBondContact O-N 3.3Å; Y266-T268 VanDerWaalsContact C-N 3.26Å; Y266-T268 PolarHBondContact O-N 3.18Å; Y266-Q269 WeakPolarHBondContact O-CB 3.41Å; Y266-Q269 PolarHBondContact O-N 2.92Å; Y266-Q269 VanDerWaalsContact O-N 3.11Å; Y266-Y270 HydrophobicContact CD1-CD2 4.22Å; Y266-Y270 HydrophobicContact CD2-CE2 4.38Å; Y266-Y270 AromaticContact CE1-CD2 3.71Å; Y266-Y270 HydrophobicContact CE1-CD2 3.71Å; Y266-Y270 AromaticContact CE1-CE2 3.81Å; Y266-Y270 HydrophobicContact CE1-CE2 3.81Å; Y266-Y270 HydrophobicContact CE2-CD2 4.3Å; Y266-Y270 AromaticContact CE2-CE2 3.67Å; Y266-Y270 HydrophobicContact CE2-CE2 3.67Å; Y266-Y270 AromaticContact CZ-CD2 3.77Å; Y266-Y270 AromaticContact CZ-CE2 3.33Å; Y266-Y270 VanDerWaalsContact OH-CE2 3.32Å; Y266-Y270 WeakPolarHBondContact OH-CE2 3.43Å
267W94.1Very high92.4Very high66 Ų6674.3 Ų74.325%0.2538%0.376CS..Hα-helixtrans-59.4-37.8179.1-68.3-33.3000112.5F32 I263 Q264 Q269 Y270 S271F32-W267 HydrophobicContact CD1-CH2 4.17Å; F32-W267 HydrophobicContact CD1-CZ2 4.18Å; F32-W267 HydrophobicContact CD2-CH2 4.28Å; F32-W267 HydrophobicContact CE1-CH2 4.23Å; F32-W267 HydrophobicContact CE1-CZ2 4.27Å; F32-W267 HydrophobicContact CE2-CH2 4.34Å; F32-W267 HydrophobicContact CG-CH2 4.2Å; F32-W267 HydrophobicContact CZ-CH2 4.32Å; I263-W267 HydrophobicContact CD1-CH2 3.79Å; I263-W267 HydrophobicContact CD1-CZ2 3.32Å; I263-W267 HydrophobicContact CG1-CD2 4.02Å; I263-W267 HydrophobicContact CG1-CE3 4.37Å; I263-W267 HydrophobicContact CG1-CH2 4.02Å; I263-W267 HydrophobicContact CG1-CZ2 3.63Å; I263-W267 HydrophobicContact CG1-CZ3 4.37Å; I263-W267 HydrophobicContact CG2-CH2 4.26Å; I263-W267 HydrophobicContact CG2-CZ3 4.22Å; I263-W267 PolarHBondContact O-N 2.79Å; Q264-W267 PolarHBondContact O-N 3.31Å; W267-Q269 VanDerWaalsContact C-N 3.26Å; W267-Q269 PolarHBondContact O-N 2.91Å; W267-Y270 CarbonylContact O-C 3.59Å; W267-Y270 PolarHBondContact O-N 3.16Å; W267-Y270 VanDerWaalsContact O-N 3.07Å; W267-S271 PolarHBondContact O-N 3.48Å; W267-S271 VanDerWaalsContact O-N 3.11Å; W267-S271 PolarHBondContact O-OG 3.06Å
268T91.7Very high92Very high99 Ų9968.7 Ų68.761%0.60735%0.352SS*.Hα-helixtrans-64.6-28.4178.6-52.30000112.8Q264 Y266 Y270Q264-T268 PolarHBondContact O-N 3.04Å; Q264-T268 PolarHBondContact O-OG1 3.08Å; Y266-T268 VanDerWaalsContact C-N 3.26Å; Y266-T268 PolarHBondContact O-N 3.18Å; T268-Y270 PolarHBondContact O-N 3.2Å
269Q88.1Confident91.7Very high124 Ų12462.8 Ų62.858%0.57933%0.331SS*.Hα-helixtrans-71.8-17176.3-70.3164.948.400113.2Q265 Y266 W267Q265-Q269 WeakPolarHBondContact O-CG 3.33Å; Q265-Q269 PolarHBondContact O-N 3.41Å; Q265-Q269 PolarHBondContact O-NE2 3.26Å; Y266-Q269 WeakPolarHBondContact O-CB 3.41Å; Y266-Q269 PolarHBondContact O-N 2.92Å; Y266-Q269 VanDerWaalsContact O-N 3.11Å; W267-Q269 VanDerWaalsContact C-N 3.26Å; W267-Q269 PolarHBondContact O-N 2.91Å
270Y79.2Confident91.2Very high92 Ų9267.8 Ų67.836%0.36136%0.357SS..THydrogen-bonded Turntrans-116.24.6-177-74.5-80.4000113.5A3 E238 Y266 W267 T268A3-Y270 HydrophobicContact CB-CD1 3.62Å; A3-Y270 HydrophobicContact CB-CD2 4.25Å; A3-Y270 HydrophobicContact CB-CE1 4.13Å; A3-Y270 HydrophobicContact CB-CG 3.68Å; E238-Y270 PolarHBondContact OE1-OH 3.02Å; E238-Y270 PolarHBondContact OE2-OH 2.86Å; Y266-Y270 HydrophobicContact CD1-CD2 4.22Å; Y266-Y270 HydrophobicContact CD2-CE2 4.38Å; Y266-Y270 AromaticContact CE1-CD2 3.71Å; Y266-Y270 HydrophobicContact CE1-CD2 3.71Å; Y266-Y270 AromaticContact CE1-CE2 3.81Å; Y266-Y270 HydrophobicContact CE1-CE2 3.81Å; Y266-Y270 HydrophobicContact CE2-CD2 4.3Å; Y266-Y270 AromaticContact CE2-CE2 3.67Å; Y266-Y270 HydrophobicContact CE2-CE2 3.67Å; Y266-Y270 AromaticContact CZ-CD2 3.77Å; Y266-Y270 AromaticContact CZ-CE2 3.33Å; Y266-Y270 VanDerWaalsContact OH-CE2 3.32Å; Y266-Y270 WeakPolarHBondContact OH-CE2 3.43Å; W267-Y270 CarbonylContact O-C 3.59Å; W267-Y270 PolarHBondContact O-N 3.16Å; W267-Y270 VanDerWaalsContact O-N 3.07Å; T268-Y270 PolarHBondContact O-N 3.2Å
271S65.8Low90.6Very high151 Ų15173.8 Ų73.8100%1.05639%0.388SS*.  trans-910176-570000110.7W267W267-S271 PolarHBondContact O-N 3.48Å; W267-S271 VanDerWaalsContact O-N 3.11Å; W267-S271 PolarHBondContact O-OG 3.06Å

Retrieved 271 of 271 residues in 681 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).